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 | |
|---|---|---|---|---|
| ▸ | PARP1 known ✓ | P09874 | 3/20 | 0.43 |
| ▸ | JAK2 known ✓ | O60674 | 1/20 | 0.42 |
| ▸ | ROCK2 known ✓ | O75116 | 5/20 | 0.40 |
| ▸ | ROCK1 known ✓ | Q13464 | 2/20 | 0.36 |
| ▸ | PRKCD known ✓ | Q05655 | 1/20 | 0.35 |
| ▸ | TYMS | P04818 | 1/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.42 |
| ▸ | MELK | Q14680 | 1/20 | 0.42 |
| ▸ | STK24 | Q9Y6E0 | 1/20 | 0.42 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | CASP6 | P55212 | 1/20 | 0.41 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.41 |
| ▸ | GRM5 | P41594 | 1/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.37 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 5/20 | 0.37 |
| ▸ | PRKACA | P17612 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4002310 | 0.98 | TYMS (0.50) | TYMSPARP1RECQLTDP1JAK2 | |
| SCHEMBL6324485 | 0.81 | ROCK1 (0.45) | PARP1RECQLTDP1JAK2RPS6KA3 | |
| SCHEMBL20725848 | 0.77 | PARP1 (0.44) | PARP1RECQLTDP1JAK2RPS6KA3 | |
| SCHEMBL4000783 | 0.77 | ROCK2 (0.54) | PARP1RECQLTDP1ROCK2ROCK1 | |
| SCHEMBL22473866 | 0.77 | PARP1 (0.44) | PARP1ROCK2GRM5CHEK1ROCK1 | |
| SCHEMBL4000962 | 0.77 | PARP1 (0.44) | PARP1RECQLTDP1JAK2RPS6KA3 | |
| SCHEMBL2337851 | 0.77 | PARP1 (0.44) | PARP1ROCK2GRM5CHEK1ROCK1 | |
| SCHEMBL1571812 | 0.74 | CSNK2A1 (0.58) | PARP1ROCK2CHEK1ROCK1PKN2 | |
| SCHEMBL17787008 | 0.74 | PARP1 (0.44) | PARP1ROCK2GRM5CHEK1ROCK1 | |
| SCHEMBL17801551 | 0.74 | PARP1 (0.44) | PARP1RECQLTDP1JAK2RPS6KA3 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10624882-B2 | Rho kinase inhibitors | AERIE PHARMACEUTICALS, INC. (US) | 2020-04-21 | — | — | US | disclosed |
| EP-2068878-B1 | RHO KINASE INHIBITORS | AERIE PHARMACEUTICALS INC (US) | 2019-04-10 | — | — | EP | disclosed |
| US-20180344723-A1 | RHO KINASE INHIBITORS | ALCON INC. (CH) | 2018-12-06 | — | — | US | disclosed |
| US-20160243102-A1 | RHO KINASE INHIBITORS | ALCON INC. (CH) | 2016-08-25 | — | — | US | disclosed |
| US-20150297581-A1 | RHO KINASE INHIBITORS | ALCON INC. (CH) | 2015-10-22 | — | — | US | disclosed |
| US-20140357652-A1 | RHO KINASE INHIBITORS | ALCON INC. (CH) | 2014-12-04 | — | — | US | disclosed |
| US-8809326-B2 | Isoquinolinone Rho kinase inhibitors | AERIE PHARMACEUTICALS, INC. (US) | 2014-08-19 | — | — | US | disclosed |
| EP-2068878-A2 | RHO KINASE INHIBITORS | Boehringer Ingelheim International GmbH (DE) | 2009-06-17 | — | — | EP | disclosed |
| US-20080161297-A1 | e.g. N-(7-Chloro-1-oxo-1,2-dihydro-isoquinolin-6-yl)-2-dimethylamino-2-phenyl-acetamide; hypertension, atherosclerosis, restenosis, stroke, heart failure, coronary vasospasm, cerebral vasospasm, ischemia/reperfusion injury, pulmonary hypertension, angina, myocardial infarction, | ALCON INC. (CH) | 2008-07-03 | — | — | US | disclosed |
| WO-2008036540-A2 | RHO KINASE INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-03-27 | — | — | WO | 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 (6 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-20160243102-A1 | RHO KINASE INHIBITORS | ROCK1, ROCK2, CIT | PARP1 1437/4885JAK2 1143/4885ROCK2 2/4885 |
| US-20150297581-A1 | RHO KINASE INHIBITORS | ROCK1, ROCK2, CIT | PARP1 1437/4885JAK2 1143/4885ROCK2 2/4885 |
| US-10624882-B2 | Rho kinase inhibitors | ROCK1, ROCK2, CIT | PARP1 1437/4885JAK2 1143/4885ROCK2 2/4885 |
| US-20140357652-A1 | RHO KINASE INHIBITORS | ROCK1, ROCK2, CIT | PARP1 1437/4885JAK2 1143/4885ROCK2 2/4885 |
| US-20180344723-A1 | RHO KINASE INHIBITORS | ROCK1, ROCK2, CIT | PARP1 1437/4885JAK2 1143/4885ROCK2 2/4885 |
| US-20080161297-A1 | e.g. N-(7-Chloro-1-oxo-1,2-dihydro-isoquinolin-6-yl)-2-dimethylamino-2-phenyl-acetamide; hypertension, atherosclerosis, restenosis, stroke, heart failure, coronary vasospasm, cerebral vasospasm, ischemia/reperfusion injury, pulmonary hypertension, angina, myocardial infarction, | ROCK1, ROCK2, ARHGDIA | PARP1 2298/4885JAK2 1718/4885ROCK2 2/4885 |
“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.