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 | |
|---|---|---|---|---|
| ▸ | ROCK2 known ✓ | O75116 | 1/20 | 0.51 |
| ▸ | SLC6A2 known ✓ | P23975 | 3/20 | 0.45 |
| ▸ | SLC6A4 known ✓ | P31645 | 3/20 | 0.45 |
| ▸ | SRC known ✓ | P12931 | 1/20 | 0.43 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.41 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
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 SCHEMBL2483356 | 1.00 | ROCK2 (0.51) | ROCK2SLC6A2SLC6A4CYP2D6SRC | |
| SCHEMBL1695685 | 0.98 | ROCK2 (0.53) | ROCK2SLC6A2SLC6A4CYP2D6SRC | |
| SCHEMBL13240841 | 0.98 | ROCK2 (0.53) | ROCK2SLC6A2SLC6A4CYP2D6SRC | |
| Hydrochloric Acid SCHEMBL1695675 | 0.88 | SLC6A2 (0.49) | ROCK2SLC6A2SLC6A4CYP2D6NR4A2 | |
| SCHEMBL2485604 | 0.86 | SLC6A2 (0.50) | ROCK2SLC6A2SLC6A4CYP2D6NR4A2 | |
| Hydrochloric Acid SCHEMBL2552119 | 0.82 | ALDH1A1 (0.50) | CYP2D6SRCNR4A2LMNAMAPK1 | |
| Hydrochloric Acid SCHEMBL2554908 | 0.82 | ALDH1A1 (0.50) | CYP2D6SRCNR4A2LMNAMAPK1 | |
| Hydrochloric Acid SCHEMBL571538 | 0.82 | ALDH1A1 (0.50) | CYP2D6SRCNR4A2LMNAMAPK1 | |
| SCHEMBL11243117 | 0.81 | ROCK2 (0.49) | ROCK2SLC6A2SLC6A4ALDH1A1KDM4E | |
| SCHEMBL2484483 | 0.80 | ROCK2 (0.58) | ROCK2SLC6A2SLC6A4LMNANR1H2 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2376489-B1 | ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF | CHIESI FARMA SPA (IT) | 2015-04-22 | — | — | EP | disclosed |
| EP-2585458-B1 | Alkaloid aminoester derivatives and medicinal compositions thereof | CHIESI FARMA SPA (IT) | 2015-01-07 | — | — | EP | disclosed |
| US-8835682-B2 | Alkaloid aminoester derivatives and medicinal composition thereof | CHIESI FARMACEUTICI S.P.A. (IT) | 2014-09-16 | — | — | US | disclosed |
| US-8563577-B2 | Alkaloid aminoester derivatives and medicinal composition thereof | CHIESI FARMACEUTICI S.P.A. (IT) | 2013-10-22 | — | — | US | disclosed |
| US-20130196978-A1 | ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF | CHIESI FARMACEUTICI S.P.A. (IT) | 2013-08-01 | — | — | US | disclosed |
| US-8455646-B2 | Alkaloid aminoester derivatives and medicinal composition thereof | CHIESI FARMACEUTICI S.P.A. (IT) | 2013-06-04 | — | — | US | disclosed |
| EP-2585458-A1 | ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF | Chiesi Farmaceutici S.p.A. (IT) | 2013-05-01 | — | — | EP | disclosed |
| CN-102947299-A | Alkaloid aminoester derivatives and pharmaceutical compositions thereof | CHIESI FARMA SPA | 2013-02-27 | — | — | CN | disclosed |
| WO-2011160919-A1 | ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF | CHIESI FARMACEUTICI S.P.A. (IT) | 2011-12-29 | — | — | WO | disclosed |
| US-20110311459-A1 | ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF | CHIESI FARMACEUTICI S.P.A. (IT) | 2011-12-22 | — | — | US | disclosed |
| CN-102264734-A | Alkaloid aminoester derivatives and medicinal composition thereof | — | 2011-11-30 | — | — | CN | disclosed |
| EP-2376489-A1 | Alkaloid aminoester derivatives and medicinal composition thereof | Chiesi Farmaceutici S.p.A. (IT) | 2011-10-19 | — | — | EP | disclosed |
| US-20100173880-A1 | ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF | CHIESI FARMACEUTICI S.P.A. (IT) | 2010-07-08 | — | — | US | disclosed |
| WO-2010072338-A1 | ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF | CHIESI FARMACEUTICI S.P.A. (IT) | 2010-07-01 | — | — | 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 (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-20130196978-A1 | ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF | CHRM3, CHRM1, CHRNG | ROCK2 3287/4885SLC6A2 2720/4885SLC6A4 2383/4885 |
| US-20110311459-A1 | ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF | CHRM3, CHRM5, CHRM2 | ROCK2 2846/4885SLC6A2 477/4885SLC6A4 661/4885 |
| US-20100173880-A1 | ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF | CHRM3, CHRM1, CHRNG | ROCK2 3287/4885SLC6A2 2720/4885SLC6A4 2383/4885 |
“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.