Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | DHFR known ✓ | P00374 | 11/20 | 0.69 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.69 |
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.69 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.69 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.69 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.69 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.69 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.69 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.69 |
| ▸ | PDE4A known ✓ | P27815 | 1/20 | 0.69 |
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.69 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.69 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.69 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.69 |
| ▸ | MAPT | P10636 | 1/20 | 0.69 |
| ▸ | HPGD | P15428 | 1/20 | 0.69 |
| ▸ | MAOA | P21397 | 1/20 | 0.69 |
| ▸ | DRD1 | P21728 | 1/20 | 0.69 |
| ▸ | BLM | P54132 | 1/20 | 0.69 |
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 SCHEMBL31237598 | 0.99 | DHFR (0.70) | DHFRMEN1ALDH1A1ESR1CHRM2 | |
| Trimetrexate SCHEMBL3635 | 0.99 | DHFR (0.70) | DHFRMEN1ALDH1A1ESR1CHRM2 | |
| Trimetrexate SCHEMBL30090901 | 0.99 | DHFR (0.70) | DHFRMEN1ALDH1A1ESR1CHRM2 | |
| Trimetrexate SCHEMBL1299257 | 0.89 | DHFR (0.71) | DHFRMEN1ALDH1A1ESR1CHRM2 | |
| Trimetrexate SCHEMBL8037940 | 0.88 | DHFR (0.80) | DHFRMEN1ALDH1A1ESR1CHRM2 | |
| Trimetrexate SCHEMBL7099127 | 0.88 | DHFR (0.86) | DHFRMEN1ALDH1A1ESR1CHRM2 | |
| Trimetrexate SCHEMBL8588679 | 0.87 | DHFR (0.81) | DHFRMEN1ALDH1A1ESR1CHRM2 | |
| Trimetrexate SCHEMBL7099424 | 0.87 | DHFR (0.88) | DHFRMEN1ALDH1A1ESR1CHRM2 | |
| Trimetrexate SCHEMBL7099831 | 0.84 | DHFR (0.98) | DHFRMEN1ALDH1A1ESR1CHRM2 | |
| Trimetrexate SCHEMBL8035980 | 0.83 | DHFR (0.96) | 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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0804197-A4 | CRYSTALLINE TRIMETREXATE SALTS AND THE PROCESS FOR MAKING THE SAME | KENNEDY PAUL E (US) | 1998-09-30 | — | — | EP | claimed |
| US-5716960-A | ANTITUMOR AGENTS; STORAGE STABILITY | U.S. BIOSCIENCE INC. AND INDIVIDUALS (US) | 1998-02-10 | — | — | US | claimed |
| EP-0804197-A1 | CRYSTALLINE TRIMETREXATE SALTS AND THE PROCESS FOR MAKING THE SAME | Kennedy, Paul E. (US) | 1997-11-05 | — | — | EP | claimed |
| WO-1996021451-A1 | CRYSTALLINE TRIMETREXATE SALTS AND THE PROCESS FOR MAKING THE SAME | KENNEDY PAUL E (US) | 1996-07-18 | — | — | WO | claimed |
| US-6017921-A | Crystalline trimetrexate salts and the process for making the same | U.S. BIOSCIENCE, INC. (US) | 2000-01-25 | — | — | US | disclosed |
| EP-0804197-A4 | CRYSTALLINE TRIMETREXATE SALTS AND THE PROCESS FOR MAKING THE SAME | KENNEDY PAUL E (US) | 1998-09-30 | — | — | EP | disclosed |
| US-5716960-A | ANTITUMOR AGENTS; STORAGE STABILITY | U.S. BIOSCIENCE INC. AND INDIVIDUALS (US) | 1998-02-10 | — | — | US | disclosed |
| EP-0804197-A1 | CRYSTALLINE TRIMETREXATE SALTS AND THE PROCESS FOR MAKING THE SAME | Kennedy, Paul E. (US) | 1997-11-05 | — | — | EP | disclosed |
| WO-1996021451-A1 | CRYSTALLINE TRIMETREXATE SALTS AND THE PROCESS FOR MAKING THE SAME | KENNEDY PAUL E (US) | 1996-07-18 | — | — | WO | disclosed |