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 | |
|---|---|---|---|---|
| ▸ | GLA known ✓ | P06280 | 2/20 | 0.61 |
| ▸ | GAA known ✓ | P10253 | 2/20 | 0.61 |
| ▸ | PARP1 known ✓ | P09874 | 1/20 | 0.50 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | HPGD | P15428 | 3/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.61 |
| ▸ | MAPT | P10636 | 2/20 | 0.61 |
| ▸ | HTT | P42858 | 1/20 | 0.61 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.53 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.50 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.50 |
| ▸ | CLPP | Q16740 | 9/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | RUNX1 | Q01196 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
| ▸ | CBFB | Q13951 | 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 | |
|---|---|---|---|---|
| SCHEMBL1550311 | 0.99 | KDM4E (0.63) | KDM4EALDH1A1HPGDSMN1; SMN2TDP1 | |
| SCHEMBL996991 | 0.88 | KDM4E (0.60) | KDM4EALDH1A1HPGDSMN1; SMN2TDP1 | |
| SCHEMBL2454865 | 0.87 | MAPT (0.51) | KDM4EALDH1A1HPGDSMN1; SMN2TDP1 | |
| SCHEMBL22915965 | 0.80 | ACHE (0.50) | KDM4EALDH1A1HPGDSMN1; SMN2TDP1 | |
| SCHEMBL20214121 | 0.77 | KDM4E (0.49) | KDM4EALDH1A1HPGDSMN1; SMN2TDP1 | |
| SCHEMBL721339 | 0.76 | SLC6A5 (0.58) | KDM4EALDH1A1HPGDSMN1; SMN2TDP1 | |
| SCHEMBL3053501 | 0.76 | SLC6A5 (0.58) | KDM4EALDH1A1HPGDSMN1; SMN2TDP1 | |
| SCHEMBL14107496 | 0.75 | SLC6A5 (0.57) | SLC6A5PARP1TNKS2PARP2CLPP | |
| SCHEMBL5226852 | 0.75 | SLC6A5 (0.57) | KDM4EALDH1A1HPGDSMN1; SMN2TDP1 | |
| SCHEMBL1550170 | 0.75 | SLC6A5 (0.56) | KDM4EALDH1A1HPGDSMN1; SMN2TDP1 |
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-20100022531-A1 | NOVEL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF | RENOVIS, INC. (US) | 2010-01-28 | — | — | US | disclosed |
| US-20080039478-A1 | Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof | RENOVIS, INC. | 2008-02-14 | — | — | US | disclosed |
| EP-1860942-A2 | BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF | Renovis, Inc. (US) | 2007-12-05 | — | — | EP | disclosed |
| US-7297700-B2 | Bicycloheteroaryl compounds as P2X7 modulators and uses thereof | RENOVIS, INC. (US) | 2007-11-20 | — | — | US | disclosed |
| WO-2006102610-A2 | BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF | RENOVIS, INC. (US) | 2006-09-28 | — | — | WO | disclosed |
| US-20060217448-A1 | e.g. 4-benzyl-N-[2-(2-chlorophenyl)ethyl]-4,7,9-triazabicyclo[4.4.0]deca-7,9,11-triene-10-carboxamide; antiinflammatory and analgesic agent; rheumatoid arthritis, osteoarthritis, Parkinson's disease, uveitis, asthma, cardiovascular conditions, myocardial infarction | RENOVIS, INC. | 2006-09-28 | — | — | 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 (3 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-20060217448-A1 | e.g. 4-benzyl-N-[2-(2-chlorophenyl)ethyl]-4,7,9-triazabicyclo[4.4.0]deca-7,9,11-triene-10-carboxamide; antiinflammatory and analgesic agent; rheumatoid arthritis, osteoarthritis, Parkinson's disease, uveitis, asthma, cardiovascular conditions, myocardial infarction | PARK7, UACA, PTGER4 | GLA 96/4885GAA 1017/4885PARP1 663/4885 |
| US-20080039478-A1 | Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof | P2RX7, P2RX3, P2RX2 | GLA 2805/4885GAA 4179/4885PARP1 1754/4885 |
| US-20100022531-A1 | NOVEL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF | P2RX3, P2RX7, P2RX1 | GLA 3202/4885GAA 3734/4885PARP1 2707/4885 |
“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.