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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.45 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.45 |
| ▸ | KCNA5 known ✓ | P22460 | 1/20 | 0.44 |
| ▸ | SLC6A4 known ✓ | P31645 | 2/20 | 0.44 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.44 |
| ▸ | DPP4 known ✓ | P27487 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | F2 | P00734 | 1/20 | 0.44 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.42 |
| ▸ | PDE2A | O00408 | 1/20 | 0.41 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.39 |
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 SCHEMBL56184 | 1.00 | ALDH1A1 (0.48) | ALDH1A1ADRA2AADRA2CLMNAHIF1A | |
| Hydrochloric Acid SCHEMBL27730332 | 1.00 | ALDH1A1 (0.48) | ALDH1A1ADRA2AADRA2CLMNAHIF1A | |
| SCHEMBL56490 | 0.98 | ADRA2A (0.46) | ALDH1A1ADRA2AADRA2CLMNAHIF1A | |
| SCHEMBL1152702 | 0.98 | ADRA2A (0.46) | ALDH1A1ADRA2AADRA2CLMNAHIF1A | |
| SCHEMBL1152705 | 0.98 | ADRA2A (0.46) | ALDH1A1ADRA2AADRA2CLMNAHIF1A | |
| Hydrochloric Acid SCHEMBL23292667 | 0.83 | DPP4 (0.50) | ALDH1A1ADRA2AADRA2CLMNAHIF1A | |
| Hydrochloric Acid SCHEMBL197657 | 0.83 | DPP4 (0.50) | ALDH1A1ADRA2AADRA2CLMNAHIF1A | |
| SCHEMBL12549733 | 0.83 | KCNA5 (0.46) | ALDH1A1ADRA2AADRA2CLMNAHIF1A | |
| SCHEMBL8761852 | 0.80 | DPP4 (0.52) | ALDH1A1ADRA2AADRA2CLMNAHIF1A | |
| SCHEMBL1358135 | 0.80 | DPP4 (0.52) | ALDH1A1ADRA2AADRA2CLMNAHIF1A |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240400501-A1 | 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF | ALLERGAN, INC. | 2024-12-05 | — | — | US | disclosed |
| US-20220402866-A1 | 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF | ALLERGAN, INC. | 2022-12-22 | — | — | US | disclosed |
| US-11208377-B2 | 3,4-disubstituted 3-cyclobutene-1,2-diones and use thereof | ALLERGAN, INC. (US) | 2021-12-28 | — | — | US | disclosed |
| EP-3668832-A1 | 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF | Allergan, Inc. (US) | 2020-06-24 | — | — | EP | disclosed |
| CN-111225900-A | 3, 4-disubstituted 3-cyclobutene-1, 2-diones and their use | 阿勒根公司 | 2020-06-02 | — | — | CN | disclosed |
| WO-2019036374-A1 | 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF | ALLERGAN, INC. (US) | 2019-02-21 | — | — | WO | disclosed |
| US-20190047947-A1 | 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF | ALLERGAN, INC. | 2019-02-14 | — | — | US | disclosed |
| US-8129411-B2 | Organic compounds | NOVARTIS AG (CH) | 2012-03-06 | — | — | US | disclosed |
| EP-2420491-A1 | 3 , 5-substitued piperidine compounds as renin inhibitors | Novartis AG (CH) | 2012-02-22 | — | — | EP | disclosed |
| US-20090192148-A1 | Organic Compounds | NOVARTIS AG (CH) | 2009-07-30 | — | — | US | disclosed |
| EP-1968940-A1 | 3 , 5-SUBSTITUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS | Novartis AG (CH) | 2008-09-17 | — | — | EP | disclosed |
| WO-2007077005-A1 | 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS | NOVARTIS AG (CH) | 2007-07-12 | — | — | 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 (5 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-20090192148-A1 | Organic Compounds | REN, ACE, AGTR1 | ADRA2A 151/4885ADRA2C 31/4885KCNA5 494/4885 |
| US-20240400501-A1 | 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF | IL17A, TSLP, SSB | ADRA2A 1974/4885ADRA2C 1016/4885KCNA5 4320/4885 |
| US-11208377-B2 | 3,4-disubstituted 3-cyclobutene-1,2-diones and use thereof | IL17A, TSLP, SSB | ADRA2A 1974/4885ADRA2C 1016/4885KCNA5 4320/4885 |
| US-20220402866-A1 | 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF | IL17A, TSLP, SSB | ADRA2A 1974/4885ADRA2C 1016/4885KCNA5 4320/4885 |
| US-20190047947-A1 | 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF | IL17A, TSLP, SSB | ADRA2A 1974/4885ADRA2C 1016/4885KCNA5 4320/4885 |
“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.