Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Trimetrexate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.98 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.98 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.98 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.98 |
| ▸ | MAOA known ✓ | P21397 | 1/20 | 0.98 |
| ▸ | DRD1 known ✓ | P21728 | 1/20 | 0.98 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.98 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.98 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.98 |
| ▸ | PDE4A known ✓ | P27815 | 1/20 | 0.98 |
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.98 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.98 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.98 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.98 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.98 |
| ▸ | DHFR | P00374 | 9/20 | 0.98 |
| ▸ | MEN1 | O00255 | 1/20 | 0.98 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.98 |
| ▸ | MAPT | P10636 | 1/20 | 0.98 |
| ▸ | HPGD | P15428 | 1/20 | 0.98 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Trimetrexate SCHEMBL29906169 | 1.00 | DHFR (0.98) | DHFRMEN1ALDH1A1ESR1CHRM2 | |
| Trimetrexate SCHEMBL8035980 | 0.99 | DHFR (0.96) | DHFRMEN1ALDH1A1ESR1CHRM2 | |
| Trimetrexate SCHEMBL3983 | 0.99 | DHFR (1.00) | DHFRMEN1ALDH1A1ESR1CHRM2 | |
| Trimetrexate SCHEMBL29376841 | 0.99 | DHFR (1.00) | DHFRMEN1ALDH1A1ESR1CHRM2 | |
| Trimetrexate SCHEMBL10701228 | 0.99 | DHFR (1.00) | DHFRMEN1ALDH1A1ESR1CHRM2 | |
| Trimetrexate SCHEMBL29403928 | 0.99 | DHFR (1.00) | DHFRMEN1ALDH1A1ESR1CHRM2 | |
| Trimetrexate SCHEMBL7099831 | 0.98 | DHFR (0.98) | DHFRMEN1ALDH1A1ESR1CHRM2 | |
| Trimetrexate SCHEMBL27795867 | 0.94 | DHFR (0.90) | DHFRMEN1ALDH1A1ESR1CHRM2 | |
| Trimetrexate SCHEMBL8039650 | 0.93 | DHFR (0.88) | DHFRMEN1ALDH1A1ESR1CHRM2 | |
| Trimetrexate SCHEMBL7099424 | 0.93 | DHFR (0.88) | DHFRMEN1ALDH1A1ESR1CHRM2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030199694-A1 | Thermally stable trimetrexates and processes for producing the same | MEDIMMUNE ONCOLOGY, INC. | 2003-10-23 | — | — | US | claimed |
| US-20020107393-A1 | Tremextrexate derivatives and pharmaceutical compositions comprising the same | MEDIMMUNE ONCOLOGY, INC. | 2002-08-08 | — | — | US | claimed |
| EP-1080079-A4 | THERMALLY STABLE TRIMETREXATES AND PROCESSES FOR PRODUCING THE SAME | US BIOSCIENCE (US) | 2001-10-04 | — | — | EP | claimed |
| US-6258952-B1 | CRYSTALLIZATION | MEDIMMUNE ONCOLOGY, INC. | 2001-07-10 | — | — | US | claimed |
| EP-1080079-A1 | THERMALLY STABLE TRIMETREXATES AND PROCESSES FOR PRODUCING THE SAME | U.S. BIOSCIENCE, INC. (US) | 2001-03-07 | — | — | EP | claimed |
| WO-1999059981-A1 | THERMALLY STABLE TRIMETREXATES AND PROCESSES FOR PRODUCING THE SAME | U.S. BIOSCIENCE, INC. (US) | 1999-11-25 | — | — | WO | claimed |
| CN-115038451-A | Multimodal compositions and methods of treatment | 阿奎斯蒂弗医疗股份有限公司 | 2022-09-09 | — | — | CN | disclosed |
| CN-115003279-A | Prodrug compositions and methods of treatment | 阿奎斯蒂弗医疗股份有限公司 | 2022-09-02 | — | — | CN | disclosed |
| CN-1152687-C | Trimetrexate crystal and preparation method thereof | E | 2004-06-09 | — | — | CN | disclosed |
| US-20030216418-A1 | Novel compositions comprising trimetrexate and methods of their synthesis and use | MEDIMMUNE ONCOLOGY, INC. | 2003-11-20 | — | — | US | disclosed |
| US-20030199694-A1 | Thermally stable trimetrexates and processes for producing the same | MEDIMMUNE ONCOLOGY, INC. | 2003-10-23 | — | — | US | disclosed |
| US-6576635-B2 | Trimetrexate ascorbate and compositions comprising trimetrexate and ascorbic acid useful as anticarcinogenic agents, bactericides, antiprotozoa agents and antidiabetic agents; heat, light, oxygen and water resistant | MEDIMMUNE ONCOLOGY, INC. | 2003-06-10 | — | — | US | disclosed |
| US-20020107393-A1 | Tremextrexate derivatives and pharmaceutical compositions comprising the same | MEDIMMUNE ONCOLOGY, INC. | 2002-08-08 | — | — | US | disclosed |
| US-6258821-B1 | TRIMETREXATE ASCORBATE DIHYDROFOLATE REDUCTASE ACTIVITY COMPRISING ADMINISTERING TO A SUBJECT IN NEED OF SUCH TREATMENT A THERAPEUTICALLY EFFECTIVE AMOUNT OF A COMPOSITION VIRAL INFECTION, FUNGAL INFECTION, YEAST INFECTION, BACTERIA | MEDIMMUNE ONCOLOGY, INC. | 2001-07-10 | — | — | US | disclosed |
| US-6258952-B1 | CRYSTALLIZATION | MEDIMMUNE ONCOLOGY, INC. | 2001-07-10 | — | — | US | disclosed |
| EP-1080079-A1 | THERMALLY STABLE TRIMETREXATES AND PROCESSES FOR PRODUCING THE SAME | U.S. BIOSCIENCE, INC. (US) | 2001-03-07 | — | — | EP | disclosed |
| WO-2000064447-A1 | NOVEL COMPOSITIONS COMPRISING TRIMETREXATE AND METHODS OF THEIR SYNTHESIS AND USE | MEDIMMUNE ONCOLOGY, INC. (US) | 2000-11-02 | — | — | WO | disclosed |
| US-6017922-A | Thermally stable trimetrexates and processes for producing the same | U.S. BIOSCIENCE, INC. (US) | 2000-01-25 | — | — | US | disclosed |
| WO-1999059981-A1 | THERMALLY STABLE TRIMETREXATES AND PROCESSES FOR PRODUCING THE SAME | U.S. BIOSCIENCE, INC. (US) | 1999-11-25 | — | — | WO | disclosed |
| CN-1177925-A | Trimetrexate crystal and preparation method thereof | PAUL E KENNEDY (US) | 1998-04-01 | — | — | CN | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20030199694-A1 | Thermally stable trimetrexates and processes for producing the same | TYMS, TYMP, TOP1 | ESR1 4342/4885CHRM2 1250/4885HTR1A 1088/4885 |
| US-20030216418-A1 | Novel compositions comprising trimetrexate and methods of their synthesis and use | TYMS, MTHFD1, DHFR | ESR1 4404/4885CHRM2 4548/4885HTR1A 4637/4885 |
| US-20020107393-A1 | Tremextrexate derivatives and pharmaceutical compositions comprising the same | TYMP, TYMS, DTYMK | ESR1 3290/4885CHRM2 356/4885HTR1A 359/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.