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 | |
|---|---|---|---|---|
| ▸ | HDAC3 known ✓ | O15379 | 3/20 | 0.51 |
| ▸ | HDAC4 known ✓ | P56524 | 3/20 | 0.51 |
| ▸ | HDAC1 known ✓ | Q13547 | 3/20 | 0.51 |
| ▸ | HDAC7 known ✓ | Q8WUI4 | 3/20 | 0.51 |
| ▸ | HDAC2 known ✓ | Q92769 | 3/20 | 0.51 |
| ▸ | HDAC10 known ✓ | Q969S8 | 3/20 | 0.51 |
| ▸ | HDAC11 known ✓ | Q96DB2 | 3/20 | 0.51 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 3/20 | 0.51 |
| ▸ | HDAC6 known ✓ | Q9UBN7 | 3/20 | 0.51 |
| ▸ | HDAC9 known ✓ | Q9UKV0 | 3/20 | 0.51 |
| ▸ | HDAC5 known ✓ | Q9UQL6 | 3/20 | 0.51 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.47 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.42 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | IDO1 | P14902 | 8/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL237595 | 0.98 | CYP2C19 (0.61) | CYP2C19HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL29101443 | 0.90 | CYP2C19 (0.51) | CYP2C19HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL29250794 | 0.86 | HDAC3 (0.49) | CYP2C19HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL2586688 | 0.85 | HDAC3 (0.50) | CYP2C19HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL16974387 | 0.85 | CYP2C19 (0.57) | CYP2C19HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL16558624 | 0.84 | HDAC3 (0.56) | CYP2C19HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL161188 | 0.82 | CA12 (0.65) | CYP2C19HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL16552821 | 0.81 | HDAC3 (0.63) | CYP2C19HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL28381777 | 0.81 | IDO1 (0.67) | CYP2C19HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL16558622 | 0.79 | IDO1 (0.52) | CYP2C19IDO1CYP1A2SMN1; SMN2ALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8211996-B2 | Well-defined donor-acceptor rod-coil diblock copolymer based on P3HT containing C60 | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2012-07-03 | — | — | US | disclosed |
| US-20110288241-A1 | DONOR-ACCEPTOR ROD-COIL DIBLOCK COPOLYMER FOR ORGANIC SOLAR CELLS AND SYNTHESIS METHOD THEREOF | UNIST ACADEMY-INDUSTRY RESEARCH CORPORATION (KR) | 2011-11-24 | — | — | US | disclosed |
| US-20100137518-A1 | Well-defined donor-acceptor rod-coil diblock copolymer based on P3HT containing C60 | REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE | 2010-06-03 | — | — | US | disclosed |
| US-20080319131-A1 | Electrically Conductive Polymers and Raft Polymerization | CARNEGIE MELLON UNIVERSITY | 2008-12-25 | — | — | US | disclosed |
| EP-1946333-A2 | ELECTRICALLY CONDUCTIVE BLOCKCOPOLYMERS AND CONTROLLED RADICAL POLYMERIZATION | CARNEGIE MELLON UNIVERSITY (US) | 2008-07-23 | — | — | EP | disclosed |
| WO-2007025189-A2 | ELECTRICALLY CONDUCTIVE BLOCKCOPOLYMERS AND CONTROLLED RADICAL POLYMERIZATION | CARNEGIE MELLON UNIVERSITY (US) | 2007-03-01 | — | — | WO | disclosed |