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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.42 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.42 |
| ▸ | NCF1 | P14598 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | ALOX5AP | P20292 | 3/20 | 0.40 |
| ▸ | FEN1 | P39748 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | PER2 | O15055 | 3/20 | 0.34 |
| ▸ | CRY1 | Q16526 | 3/20 | 0.34 |
| ▸ | CRY2 | Q49AN0 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL12215806 | 0.98 | NCF1 (0.47) | NCF1CA1CA2CA6OPRK1 | |
| Hydrochloric Acid SCHEMBL2531492 | 0.80 | CA1 (0.39) | CA1CA2CA6OPRK1CA7 | |
| SCHEMBL12215772 | 0.78 | CA1 (0.40) | CA1CA2CA6OPRK1CA7 | |
| Hydrochloric Acid SCHEMBL2523933 | 0.77 | POLB (0.39) | CA1CA2CA6OPRK1CA7 | |
| SCHEMBL12215796 | 0.75 | POLB (0.40) | CA1CA2CA6OPRK1CA7 | |
| SCHEMBL15916682 | 0.74 | CA1 (0.46) | CA1CA2CA6OPRK1CA7 | |
| SCHEMBL29190662 | 0.72 | ALOX5AP (0.47) | CA1CA2CA6OPRK1CA7 | |
| SCHEMBL2523882 | 0.72 | POLB (0.41) | CA1CA2CA6OPRK1CA7 | |
| SCHEMBL111729 | 0.71 | NCF1 (0.72) | NCF1MAPT | |
| SCHEMBL14864857 | 0.71 | CA1 (0.40) | CA1CA2CA6OPRK1CA7 |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1948666-B1 | HIV INTEGRASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2010-03-17 | — | — | EP | claimed |
| US-8039458-B2 | HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-10-18 | — | — | US | disclosed |
| EP-1745052-B9 | HIV INTEGRASE INHIBITORS: CYCLIC PYRIMIDINONE COMPOUNDS | BRISTOL MYERS SQUIBB CO (US) | 2009-10-28 | — | — | EP | disclosed |
| US-7511037-B2 | N-[[4-fluoro-2-(5-methy-1H-1,2,4-triazol-1-yl)phenyl]methyl]-4-,6,7,9-tetrahydro-3-hydroxy-9,9-dimethyl-4-oxo-pyrimido[2,1-c][1,4]oxazine-2-carboxamide as an HIV integrase inhibitor | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-03-31 | — | — | US | disclosed |
| US-7491819-B1 | N-[4-Fluorophenyl)methyl]-4,6,7,9-tetrahydro-3-hydroxy-9,9-dimethyl-4-oxo-pyrimido[2,1-c][1,4]oxazine-2-carboxamide as an HIV integrase inhibitor | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-02-17 | — | — | US | disclosed |
| EP-1749011-B1 | BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2008-10-29 | — | — | EP | disclosed |
| US-7419969-B2 | HIV integrase inhibitors: cyclic pyrimidinone compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-09-02 | — | — | US | disclosed |
| EP-1745052-B1 | HIV INTEGRASE INHIBITORS: CYCLIC PYRIMIDINONE COMPOUNDS | BRISTOL MYERS SQUIBB CO (US) | 2008-08-20 | — | — | EP | disclosed |
| US-7273859-B2 | HIV integrase inhibitors: cyclic pyrimidinone compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-09-25 | — | — | US | disclosed |
| US-20070129379-A1 | HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2007-06-07 | — | — | US | disclosed |
| WO-2007058646-A1 | HIV INTEGRASE INHIBITORS: CYCLIC PYRIMIDINONE COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-05-24 | — | — | WO | disclosed |
| US-20070111984-A1 | HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2007-05-17 | — | — | US | disclosed |
| WO-2007038524-A2 | COCRYSTALLIZATION METHODS | SSCI, INC. (US) | 2007-04-05 | — | — | WO | disclosed |
| US-7176196-B2 | Bicyclic heterocycles as HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-02-13 | — | — | US | disclosed |
| US-7157447-B2 | Bicyclic heterocycles as HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-01-02 | — | — | US | disclosed |
| US-20060276466-A1 | Bicyclic heterocycles as HIV integrase inhibitors | NAIDU B N | 2006-12-07 | — | — | US | disclosed |
| US-20060199956-A1 | Bicyclic heterocycles as HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2006-09-07 | — | — | US | disclosed |
| US-20060106007-A1 | HIV integrase inhibitors: cyclic pyrimidinone compounds | ROBERT BOSCH GMBH (DE) | 2006-05-18 | — | — | US | disclosed |
| US-20050267105-A1 | Bicyclic heterocycles as HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2005-12-01 | — | — | US | disclosed |
| US-20050256109-A1 | HIV integrase inhibitors: cyclic pyrimidinone compounds | BRISTOL-MYERS SQUIBB COMPANY | 2005-11-17 | — | — | US | 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 (7 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-20060106007-A1 | HIV integrase inhibitors: cyclic pyrimidinone compounds | TYMP, TYMS, SAMHD1 | CA2 4650/4885OPRK1 2667/4885NCF1 2618/4885 |
| US-20070129379-A1 | HIV INTEGRASE INHIBITORS | TYMP, POLN, IMPDH1 | CA2 4443/4885OPRK1 1699/4885NCF1 2121/4885 |
| US-20050256109-A1 | HIV integrase inhibitors: cyclic pyrimidinone compounds | TYMP, TYMS, SAMHD1 | CA2 4650/4885OPRK1 2667/4885NCF1 2618/4885 |
| US-20060199956-A1 | Bicyclic heterocycles as HIV integrase inhibitors | CCNI, TYMP, IMPDH1 | CA2 4400/4885OPRK1 2389/4885NCF1 1761/4885 |
| US-20070111984-A1 | HIV integrase inhibitors | TYMP, POLN, IMPDH1 | CA2 4443/4885OPRK1 1699/4885NCF1 2121/4885 |
| US-20060276466-A1 | Bicyclic heterocycles as HIV integrase inhibitors | CCNI, TYMP, IMPDH1 | CA2 4400/4885OPRK1 2389/4885NCF1 1761/4885 |
| US-20050267105-A1 | Bicyclic heterocycles as HIV integrase inhibitors | CCNI, TYMP, IMPDH1 | CA2 4400/4885OPRK1 2389/4885NCF1 1761/4885 |
“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.