Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Ambamustine. 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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.36 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.36 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.36 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.36 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.36 |
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.36 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.36 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.36 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | PPID | Q08752 | 1/20 | 0.40 |
| ▸ | MME | P08473 | 1/20 | 0.39 |
| ▸ | ANPEP | P15144 | 1/20 | 0.39 |
| ▸ | FNTA | P49354 | 2/20 | 0.39 |
| ▸ | FNTB | P49356 | 2/20 | 0.39 |
| ▸ | PGGT1B | P53609 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Ambamustine SCHEMBL62822 | 0.99 | LMNA (0.41) | LMNASMN1; SMN2PPIDMMEANPEP | |
| Hydrochloric Acid SCHEMBL11124542 | 0.93 | SMN1; SMN2 (0.45) | LMNASMN1; SMN2PPIDMMEANPEP | |
| SCHEMBL11127008 | 0.92 | SMN1; SMN2 (0.46) | LMNASMN1; SMN2PPIDMMEANPEP | |
| SCHEMBL10653336 | 0.90 | FNTA (0.49) | LMNASMN1; SMN2FNTAFNTBPGGT1B | |
| SCHEMBL10655585 | 0.90 | FNTA (0.49) | LMNASMN1; SMN2FNTAFNTBPGGT1B | |
| Hydrochloric Acid SCHEMBL29376569 | 0.90 | LMNA (0.38) | LMNASMN1; SMN2MMEANPEPFNTA | |
| SCHEMBL6838403 | 0.90 | LMNA (0.47) | LMNASMN1; SMN2KMT2ACYP3A4ALDH1A1 | |
| SCHEMBL10653540 | 0.90 | LMNA (0.47) | LMNASMN1; SMN2KMT2ACYP3A4ALDH1A1 | |
| SCHEMBL11129156 | 0.89 | HTT (0.39) | LMNASMN1; SMN2PPIDMMEANPEP | |
| SCHEMBL10653360 | 0.88 | LMNA (0.48) | LMNASMN1; SMN2FNTAFNTBPGGT1B |
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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4743590-A | METHIONINE, 3-(P-FLUOROPHENYL)ALANINE, 3-(M-BIS(2-CHLOROETHYL)AMINOPHENYL)ALANINE | DEBARBIERI AUGUSTO (IT) | 1988-05-10 | — | — | US | claimed |
| US-4740501-A | ANTITUMOR AGENT | PROTER S.P.A. (IT) | 1988-04-26 | — | — | US | claimed |
| US-4540683-A | In vitro and in vivo treatment of cancer cells and treatment of viruses with a tripeptide compound | PROTER S.P.A. (IT) | 1985-09-10 | — | — | US | claimed |
| US-4508710-A | DICHLORODIETHYLAMINOPHENYLALANINE, PARAFLUOROPHENYLALANINE AND METHIONINE | PROTER S.P.A. (IT) | 1985-04-02 | — | — | US | claimed |
| EP-0056565-B1 | DERIVATIVES OF DI(-2-CHLOROETHYL) AMINOPHENYL ALANINE WITH ANTITUMOUR ACTIVITY | PROTER S.p.A. (IT) | 1984-12-05 | — | — | EP | claimed |
| US-4428875-A | TRIPEPTIDES INCLUDING METHIONINE | PROTER S.P.A. (IT) | 1984-01-31 | — | — | US | claimed |
| US-20220380362-A1 | PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF | JAPAN TOBACCO INC. (JP) | 2022-12-01 | — | — | US | disclosed |
| US-20200109139-A1 | PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF | JAPAN TOBACCO INC. (JP) | 2020-04-09 | — | — | US | disclosed |
| US-20180273531-A1 | PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF | JAPAN TOBACCO INC. (JP) | 2018-09-27 | — | — | US | disclosed |
| US-20170029418-A1 | PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF | JAPAN TOBACCO INC. (JP) | 2017-02-02 | — | — | US | disclosed |
| US-20150183812-A1 | PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF | JAPAN TOBACCO INC (JP) | 2015-07-02 | — | — | US | disclosed |
| US-8835443-B2 | Pyrimidine compound and medical use thereof | JAPAN TOBACCO INC. (JP) | 2014-09-16 | — | — | US | disclosed |
| EP-2298768-B9 | 5-amino-2,4,7-trioxo-3,4,7,8-tetrahydro-2H-pyrido[2,3-d]pyrimidine derivatives and related compounds for the treatment of cancer | JAPAN TOBACCO INC (JP) | 2013-04-24 | — | — | EP | disclosed |
| US-4743590-A | METHIONINE, 3-(P-FLUOROPHENYL)ALANINE, 3-(M-BIS(2-CHLOROETHYL)AMINOPHENYL)ALANINE | DEBARBIERI AUGUSTO (IT) | 1988-05-10 | — | — | US | disclosed |
| US-4740501-A | ANTITUMOR AGENT | PROTER S.P.A. (IT) | 1988-04-26 | — | — | US | disclosed |
| US-4540683-A | In vitro and in vivo treatment of cancer cells and treatment of viruses with a tripeptide compound | PROTER S.P.A. (IT) | 1985-09-10 | — | — | US | disclosed |
| US-4508710-A | DICHLORODIETHYLAMINOPHENYLALANINE, PARAFLUOROPHENYLALANINE AND METHIONINE | PROTER S.P.A. (IT) | 1985-04-02 | — | — | US | disclosed |
| EP-0056565-B1 | DERIVATIVES OF DI(-2-CHLOROETHYL) AMINOPHENYL ALANINE WITH ANTITUMOUR ACTIVITY | PROTER S.p.A. (IT) | 1984-12-05 | — | — | EP | disclosed |
| US-4428875-A | TRIPEPTIDES INCLUDING METHIONINE | PROTER S.P.A. (IT) | 1984-01-31 | — | — | US | disclosed |
| EP-0056565-A1 | Derivatives of di(-2-chloroethyl) aminophenyl alanine with antitumour activity | PROTER S.p.A. (IT) | 1982-07-28 | — | — | EP | 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 (5 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-20220380362-A1 | PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF | TYMP, TYMS, DPYD | CHRM2 4652/4885ADRA2A 4598/4885CHRM1 4690/4885 |
| US-20180273531-A1 | PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF | TYMP, TYMS, DPYD | CHRM2 4652/4885ADRA2A 4598/4885CHRM1 4690/4885 |
| US-20170029418-A1 | PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF | TYMP, TYMS, DPYD | CHRM2 4652/4885ADRA2A 4598/4885CHRM1 4690/4885 |
| US-20200109139-A1 | PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF | TYMP, TYMS, DPYD | CHRM2 4652/4885ADRA2A 4598/4885CHRM1 4690/4885 |
| US-20150183812-A1 | PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF | TYMP, TYMS, DPYD | CHRM2 4652/4885ADRA2A 4598/4885CHRM1 4690/4885 |
“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.