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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 5/20 | 0.55 |
| ▸ | BCHE known ✓ | P06276 | 4/20 | 0.48 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 2/20 | 0.45 |
| ▸ | CCR5 known ✓ | P51681 | 1/20 | 0.45 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.44 |
| ▸ | DRD4 known ✓ | P21917 | 1/20 | 0.44 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.44 |
| ▸ | JAK2 known ✓ | O60674 | 1/20 | 0.44 |
| ▸ | JAK1 known ✓ | P23458 | 1/20 | 0.44 |
| ▸ | TACR1 known ✓ | P25103 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | BACE1 | P56817 | 4/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | CCR3 | P51677 | 1/20 | 0.46 |
| ▸ | TYK2 | P29597 | 1/20 | 0.44 |
| ▸ | JAK3 | P52333 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1373406 | 1.00 | ACHE (0.55) | ACHEALDH1A1BCHEBACE1CYP1A2 | |
| Hydrochloric Acid SCHEMBL18124366 | 1.00 | ACHE (0.55) | ACHEALDH1A1BCHEBACE1CYP1A2 | |
| Hydrochloric Acid SCHEMBL2321039 | 1.00 | ACHE (0.55) | ACHEALDH1A1BCHEBACE1CYP1A2 | |
| Hydrochloric Acid SCHEMBL18124367 | 1.00 | ACHE (0.55) | ACHEALDH1A1BCHEBACE1CYP1A2 | |
| SCHEMBL691150 | 0.98 | ACHE (0.57) | ACHEALDH1A1BCHEBACE1CYP1A2 | |
| SCHEMBL1373575 | 0.98 | ACHE (0.57) | ACHEALDH1A1BCHEBACE1CYP1A2 | |
| SCHEMBL6078747 | 0.98 | ACHE (0.57) | ACHEALDH1A1BCHEBACE1CYP1A2 | |
| SCHEMBL8224846 | 0.88 | ACHE (0.58) | ACHEALDH1A1BCHEBACE1CYP1A2 | |
| SCHEMBL500305 | 0.84 | GBA1 (0.49) | ACHESIGMAR1CCR5DRD2DRD4 | |
| SCHEMBL500306 | 0.84 | GBA1 (0.49) | ACHESIGMAR1CCR5DRD2DRD4 |
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-20160122354-A1 | PROCESS FOR THE PREPARATION OF (3R,4R)-4-METHYL-3-(METHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL-AMINO)-ß-OXO-1-PIPERIDINEPROPANENITRILE AND ITS SALTS | THIRUMALAI RAJAN SRINIVASAN (IN) | 2016-05-05 | — | — | US | disclosed |
| US-8309716-B2 | Pyrrolo[2,3-d]pyrimidine derivatives: their intermediates and synthesis | PFIZER INC. (US) | 2012-11-13 | — | — | US | disclosed |
| US-20120259115-A1 | PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES: THEIR INTERMEDIATES AND SYNTHESIS | PFIZER INC. (US) | 2012-10-11 | — | — | US | disclosed |
| US-8232394-B2 | Pyrrolo[2,3-d]pyrimidine derivatives; their intermediates and synthesis | PFIZER INC. (US) | 2012-07-31 | — | — | US | disclosed |
| EP-1913000-B1 | PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES; THEIR INTERMEDIATES AND SYNTHESIS | PFIZER PROD INC (US) | 2012-01-11 | — | — | EP | disclosed |
| US-20110288297-A1 | Pyrrolo[2,3-d]Pyrimidine Derivatives; Their Intermediates and Synthesis | PFIZER, INC. (US) | 2011-11-24 | — | — | US | disclosed |
| US-7084277-B2 | Reacting 1-alkoxycarbonyl-3-oxo piperidine compound with an amine; reducing with reducing agent | PFIZER INC. (US) | 2006-08-01 | — | — | US | disclosed |
| EP-1572649-A2 | 3-AMINO-PIPERIDINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION | Pfizer Products Inc. (US) | 2005-09-14 | — | — | EP | disclosed |
| WO-2004046112-A2 | 3-AMINO-PIPERIDINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION | PFIZER PRODUCTS INC. (US) | 2004-06-03 | — | — | WO | disclosed |
| US-20040102627-A1 | 3-Amino-piperadine derivatives and methods of manufacture | PFIZER INC. | 2004-05-27 | — | — | 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 (4 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-20120259115-A1 | PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES: THEIR INTERMEDIATES AND SYNTHESIS | DPYD, CPS1, TYMS | ACHE 4467/4885BCHE 4683/4885SIGMAR1 4403/4885 |
| US-20040102627-A1 | 3-Amino-piperadine derivatives and methods of manufacture | PRMT5, SRM, CYP1B1 | ACHE 1771/4885BCHE 965/4885SIGMAR1 1024/4885 |
| US-20160122354-A1 | PROCESS FOR THE PREPARATION OF (3R,4R)-4-METHYL-3-(METHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL-AMINO)-ß-OXO-1-PIPERIDINEPROPANENITRILE AND ITS SALTS | CYP4B1, CYP3A4, CYP1B1 | ACHE 2330/4885BCHE 3516/4885SIGMAR1 386/4885 |
| US-20110288297-A1 | Pyrrolo[2,3-d]Pyrimidine Derivatives; Their Intermediates and Synthesis | DPYD, CPS1, TYMS | ACHE 4478/4885BCHE 4680/4885SIGMAR1 4400/4885 |
“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.