Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 known ✓ | P11511 | 1/20 | 0.44 |
| ▸ | CPA1 | P15085 | 1/20 | 0.67 |
| ▸ | CPB2 | Q96IY4 | 14/20 | 0.59 |
| ▸ | CPB1 | P15086 | 3/20 | 0.59 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7804288 | 0.99 | CPA1 (0.69) | CPA1CPB2CPB1MAPTCYP19A1 | |
| SCHEMBL7749570 | 0.84 | CPA1 (0.50) | CPA1CPB2CPB1MAPT | |
| SCHEMBL8865742 | 0.80 | CPA1 (0.76) | CPA1CPB2CPB1CYP19A1 | |
| Hydrochloric Acid SCHEMBL8495732 | 0.79 | CPA1 (0.69) | CPA1CPB2CPB1CYP19A1 | |
| SCHEMBL27605640 | 0.78 | MEN1 (0.44) | CPA1MAPT | |
| SCHEMBL7053727 | 0.77 | CPA1 (0.71) | CPA1CPB2CPB1CYP19A1 | |
| Hydrochloric Acid SCHEMBL8351982 | 0.75 | KMT2A (0.39) | CPA1CPB2 | |
| SCHEMBL6810144 | 0.73 | KMT2A (0.52) | CPA1MAPT | |
| SCHEMBL6810226 | 0.73 | KMT2A (0.52) | CPA1MAPT | |
| SCHEMBL1861986 | 0.73 | MMP1 (0.52) | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0906099-A4 | A METHOD OF TREATING CANCER | MERCK & CO INC (US) | 2001-02-07 | — | — | EP | disclosed |
| EP-0952842-A2 | A METHOD OF TREATING CANCER | Merck & Co., Inc. (US) | 1999-11-03 | — | — | EP | disclosed |
| EP-0934270-A1 | A METHOD OF TREATING CANCER | Merck & Co., Inc. (US) | 1999-08-11 | — | — | EP | disclosed |
| EP-0906099-A1 | A METHOD OF TREATING CANCER | Merck & Co., Inc. (US) | 1999-04-07 | — | — | EP | disclosed |
| WO-1999012912-A1 | THIOUREA DERIVATIVES OR NON-TOXIC SALTS THEREOF FOR INHIBITNG RAS-TRANSFORMED CELL GROWTH | YUHAN CORPORATION (KR) | 1999-03-18 | — | — | WO | disclosed |
| EP-0837875-A4 | INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE | MERCK & CO INC (US) | 1998-10-07 | — | — | EP | disclosed |
| EP-0837875-A2 | INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE | Merck & Co., Inc. (US) | 1998-04-29 | — | — | EP | disclosed |
| EP-0836383-A1 | COMBINATIONS OF INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE | Merck & Co., Inc. (US) | 1998-04-22 | — | — | EP | disclosed |
| WO-1997045412-A1 | A METHOD OF TREATING CANCER | MERCK & CO., INC. (US) | 1997-12-04 | — | — | WO | disclosed |
| WO-1997038664-A2 | A METHOD OF TREATING CANCER | MERCK & CO., INC. (US) | 1997-10-23 | — | — | WO | disclosed |
| WO-1997036587-A1 | A METHOD OF TREATING CANCER | MERCK & CO., INC. (US) | 1997-10-09 | — | — | WO | disclosed |
| US-5652257-A | ANTICARCINOGENIC | MERCK & CO., INC. (US) | 1997-07-29 | — | — | US | disclosed |
| EP-0783517-A2 | THIOL-FREE INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE | MERCK & CO. INC. (US) | 1997-07-16 | — | — | EP | disclosed |
| US-5627202-A | Inhibitors of farnesyl-protein transferase | MERCK & CO., INC. (US) | 1997-05-06 | — | — | US | disclosed |
| WO-1997001275-A1 | COMBINATIONS OF INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE | MERCK & CO., INC. (US) | 1997-01-16 | — | — | WO | disclosed |
| WO-1996034010-A2 | INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE | MERCK & CO., INC. (US) | 1996-10-31 | — | — | WO | disclosed |
| WO-1996010034-A2 | THIOL-FREE INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE | MERCK & CO., INC. (US) | 1996-04-04 | — | — | WO | disclosed |