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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.54 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.54 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.53 |
| ▸ | PARP1 known ✓ | P09874 | 1/20 | 0.53 |
| ▸ | ABL1 known ✓ | P00519 | 1/20 | 0.52 |
| ▸ | BCR known ✓ | P11274 | 1/20 | 0.52 |
| ▸ | MAOB known ✓ | P27338 | 1/20 | 0.49 |
| ▸ | PARP10 | Q53GL7 | 10/20 | 0.57 |
| ▸ | PARP4 | Q9UKK3 | 2/20 | 0.57 |
| ▸ | PARP15 | Q460N3 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.57 |
| ▸ | PARP16 | Q8N5Y8 | 1/20 | 0.57 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.57 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.53 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.52 |
| ▸ | FAAH | O00519 | 1/20 | 0.51 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3785321 | 1.00 | PARP10 (0.57) | PARP10PARP4PARP15ALDH1A1KMT2A | |
| SCHEMBL324161 | 0.98 | PARP10 (0.59) | PARP10PARP4PARP15ALDH1A1KMT2A | |
| SCHEMBL22721342 | 0.92 | PARP10 (0.70) | PARP10PARP4PARP15ALDH1A1KMT2A | |
| SCHEMBL8297933 | 0.92 | ABL1 (0.56) | PARP10PARP4PARP15ALDH1A1KMT2A | |
| SCHEMBL22740915 | 0.92 | PARP10 (0.53) | PARP10PARP4PARP15ALDH1A1KMT2A | |
| SCHEMBL5453961 | 0.88 | ABL1 (0.63) | PARP10PARP4PARP15ALDH1A1KMT2A | |
| SCHEMBL22721370 | 0.84 | TRPV1 (0.76) | KMT2AABL1EPHX2FAAHTRPV1 | |
| SCHEMBL22721364 | 0.84 | PARP10 (0.76) | PARP10PARP15PARP14MAOB | |
| Hydrochloric Acid SCHEMBL3539826 | 0.83 | NPC1 (0.58) | EPHX2FAAHTRPV1NPC1RAB9A | |
| SCHEMBL9173852 | 0.82 | PARP10 (0.55) | PARP10PARP4PARP15ALDH1A1KMT2A |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105228982-B | 3-acetylamino-1- (phenyl-heteroaryl-aminocarbonyl or phenyl-heteroaryl-carbonylamino) benzene derivatives for the treatment of hyperproliferative disorders | 拜耳制药股份公司 | 2018-03-27 | — | — | CN | claimed |
| CN-102471265-B | Piperidine derivatives and their use for the treatment of obesity, diabetes, dyslipidemia and atherosclerosis | HOFFMANN LA ROCHE | 2014-09-03 | — | — | CN | claimed |
| EP-2480532-B1 | PIPERIDINE DERIVATIVES AND THEIR USE TO TREAT OBESITY, DIABETES, DYSLIPIDEMIA AND ATHEROSCLEROSIS | HOFFMANN LA ROCHE (CH) | 2013-11-20 | — | — | EP | claimed |
| US-8399676-B2 | Piperidine derivatives | HOFFMAN-LA ROCHE INC. (US) | 2013-03-19 | — | — | US | claimed |
| EP-2480532-A1 | PIPERIDINE DERIVATIVES AND THEIR USE TO TREAT OBESITY, DIABETES, DYSLIPIDEMIA AND ATHEROSCLEROSIS | F. Hoffmann-La Roche AG (CH) | 2012-08-01 | — | — | EP | claimed |
| CN-102471265-A | Piperidine derivatives and their use for the treatment of obesity, diabetes, dyslipidemia and atherosclerosis | HOFFMANN LA ROCHE | 2012-05-23 | — | — | CN | claimed |
| CN-102471265-B | Piperidine derivatives and their use for the treatment of obesity, diabetes, dyslipidemia and atherosclerosis | HOFFMANN LA ROCHE | 2014-09-03 | — | — | CN | disclosed |
| EP-2480532-B1 | PIPERIDINE DERIVATIVES AND THEIR USE TO TREAT OBESITY, DIABETES, DYSLIPIDEMIA AND ATHEROSCLEROSIS | HOFFMANN LA ROCHE (CH) | 2013-11-20 | — | — | EP | disclosed |
| US-8399676-B2 | Piperidine derivatives | HOFFMAN-LA ROCHE INC. (US) | 2013-03-19 | — | — | US | disclosed |
| EP-2480532-A1 | PIPERIDINE DERIVATIVES AND THEIR USE TO TREAT OBESITY, DIABETES, DYSLIPIDEMIA AND ATHEROSCLEROSIS | F. Hoffmann-La Roche AG (CH) | 2012-08-01 | — | — | EP | disclosed |
| CN-102471265-A | Piperidine derivatives and their use for the treatment of obesity, diabetes, dyslipidemia and atherosclerosis | HOFFMANN LA ROCHE | 2012-05-23 | — | — | CN | disclosed |