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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR known ✓ | P35968 | 8/20 | 0.58 |
| ▸ | PDGFRB known ✓ | P09619 | 2/20 | 0.49 |
| ▸ | JAK2 known ✓ | O60674 | 1/20 | 0.49 |
| ▸ | ABL1 known ✓ | P00519 | 1/20 | 0.49 |
| ▸ | NTRK1 known ✓ | P04629 | 1/20 | 0.49 |
| ▸ | LCK known ✓ | P06239 | 1/20 | 0.49 |
| ▸ | CSF1R known ✓ | P07333 | 1/20 | 0.49 |
| ▸ | RET known ✓ | P07949 | 1/20 | 0.49 |
| ▸ | MET known ✓ | P08581 | 1/20 | 0.49 |
| ▸ | FGFR1 known ✓ | P11362 | 1/20 | 0.49 |
| ▸ | PDGFRA known ✓ | P16234 | 1/20 | 0.49 |
| ▸ | FLT1 known ✓ | P17948 | 1/20 | 0.49 |
| ▸ | FLT3 known ✓ | P36888 | 1/20 | 0.49 |
| ▸ | NTRK2 known ✓ | Q16620 | 1/20 | 0.49 |
| ▸ | ALK known ✓ | Q9UM73 | 1/20 | 0.49 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.48 |
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.47 |
| ▸ | IKBKB | O14920 | 2/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL7235444 | 0.99 | IKBKB (0.67) | IKBKBKDRKDM4EALDH1A1MAPT | |
| SCHEMBL7237418 | 0.90 | FYN (0.65) | IKBKBKDRKDM4EALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL7511878 | 0.89 | IKBKB (0.69) | IKBKBKDRKDM4EALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL7508315 | 0.89 | IKBKB (0.71) | IKBKBKDRKDM4EALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL7517322 | 0.88 | IKBKB (0.80) | IKBKBKDRKDM4EALDH1A1MAPT | |
| SCHEMBL7241620 | 0.85 | KDR (0.70) | IKBKBKDRKDM4EALDH1A1PLK1 | |
| SCHEMBL7238442 | 0.85 | KDR (0.60) | IKBKBKDRFYNPLK1PTK2 | |
| Hydrochloric Acid SCHEMBL7511610 | 0.84 | IKBKB (0.62) | IKBKBKDRKDM4EALDH1A1MAPT | |
| SCHEMBL6997904 | 0.84 | FYN (0.61) | IKBKBKDRKDM4EALDH1A1MAPT | |
| SCHEMBL29946624 | 0.82 | IKBKB (0.78) | IKBKBKDRKDM4EALDH1A1MAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0856001-B1 | PYRIMIDINE DERIVATIVES AS 5HT2C RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2002-08-28 | — | — | EP | disclosed |
| EP-0856001-A1 | PYRIMIDINE DERIVATIVES AS 5HT 2C?-RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 1998-08-05 | — | — | EP | disclosed |
| US-5753663-A | 5HT2C ANTAGONIST, USEFUL FOR TREATING ANXIETY, PAIN, OBSESSIVE COMPULSIVE DISORDER, ALCOHOLISM, DEPRESSION, MIGRAINE, SLEEP DISORDER, ANOREXIA NERVOSA AND PRIAPISM | SYNTEX (U.S.A.) INC. (US) | 1998-05-19 | — | — | US | disclosed |
| WO-1997012880-A1 | PYRIMIDINE DERIVATIVES AS 5HT2C-RECEPTOR ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 1997-04-10 | — | — | WO | disclosed |