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 | |
|---|---|---|---|---|
| ▸ | GAA known ✓ | P10253 | 2/20 | 0.39 |
| ▸ | HSP90AA1 known ✓ | P07900 | 1/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | MYC | P01106 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | AGER | Q15109 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL355358 | 0.98 | P2RX7 (0.52) | P2RX7KDM4ETDP1NPC1RAB9A | |
| SCHEMBL5740191 | 0.81 | P2RX7 (0.52) | P2RX7KDM4ETDP1NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL1646832 | 0.79 | KDM4E (0.61) | P2RX7KDM4ETDP1NPC1RAB9A | |
| SCHEMBL22734836 | 0.79 | P2RX7 (0.55) | P2RX7KDM4ETDP1NPC1RAB9A | |
| SCHEMBL5073329 | 0.79 | P2RX7 (0.55) | P2RX7KDM4ETDP1NPC1RAB9A | |
| SCHEMBL29651292 | 0.77 | KDM4E (0.63) | P2RX7KDM4ETDP1NPC1RAB9A | |
| SCHEMBL17210751 | 0.77 | P2RX7 (0.52) | P2RX7KDM4ETDP1NPC1RAB9A | |
| SCHEMBL71547 | 0.77 | KDM4E (0.63) | P2RX7KDM4ETDP1NPC1RAB9A | |
| SCHEMBL30599010 | 0.76 | P2RX7 (0.51) | P2RX7KDM4ETDP1NPC1RAB9A | |
| SCHEMBL29086505 | 0.76 | P2RX7 (0.51) | P2RX7KDM4ETDP1NPC1RAB9A |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8791102-B2 | Acetanilide sphingosine-1-phosphate receptor antagonists | EXELIXIS, INC. (US) | 2014-07-29 | — | — | US | disclosed |
| US-20110288076-A1 | Sphingosine-1-Phosphate Receptor Antagonists | EXELIXIS, INC. (US) | 2011-11-24 | — | — | US | disclosed |
| EP-2346821-A1 | SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS | Exelixis, Inc. (US) | 2011-07-27 | — | — | EP | disclosed |
| WO-2010045580-A1 | SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS | EXELIXIS, INC. (US) | 2010-04-22 | — | — | WO | disclosed |
| EP-1120419-B1 | DERIVATIVES OF ISOSORBID MONONITRATE, UTILIZATION AS VASODILATOR AGENTS WITH REDUCED TOLERANCE | LACER SA (ES) | 2006-04-19 | — | — | EP | disclosed |
| US-6858632-B2 | Derivatives of isosorbide mononitrate and its use as vasodilating agents with reduced tolerance | LACER, S.A. (ES) | 2005-02-22 | — | — | US | disclosed |
| US-20050038072-A1 | Nitrogeneous cyclic ketone derivative, process for producing the same, and use | TAKEDA CHEMICAL INDUSTRIES, LTD. | 2005-02-17 | — | — | US | disclosed |
| EP-1460062-A1 | NITROGENOUS CYCLIC KETONE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE | Takeda Chemical Industries, Ltd. (JP) | 2004-09-22 | — | — | EP | disclosed |
| US-20030225134-A1 | Derivatives of isosorbide mononitrate and its use as vasodilating agents with reduced tolerance | LACER, S.A. (ES) | 2003-12-04 | — | — | US | disclosed |
| US-20010051735-A1 | Derivatives of isosorbide mononitrate and its use as vasodilating agents with reduced tolerance | LACER, S.A. (ES) | 2001-12-13 | — | — | US | disclosed |
| EP-1120419-A1 | DERIVATIVES OF ISOSORBID MONONITRATE, UTILIZATION AS VASODILATOR AGENTS WITH REDUCED TOLERANCE | LACER, S.A. (ES) | 2001-08-01 | — | — | EP | 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-20030225134-A1 | Derivatives of isosorbide mononitrate and its use as vasodilating agents with reduced tolerance | AGTR1, ADRB1, ADRB3 | GAA 1139/4885HSP90AA1 3874/4885P2RX7 2173/4885 |
| US-20010051735-A1 | Derivatives of isosorbide mononitrate and its use as vasodilating agents with reduced tolerance | AGTR1, AKR1C1, AKR1C2 | GAA 1717/4885HSP90AA1 4011/4885P2RX7 1451/4885 |
| US-20050038072-A1 | Nitrogeneous cyclic ketone derivative, process for producing the same, and use | BDKRB1, BDKRB2, TACR1 | GAA 4873/4885HSP90AA1 3267/4885P2RX7 444/4885 |
| US-20110288076-A1 | Sphingosine-1-Phosphate Receptor Antagonists | S1PR1, S1PR2, S1PR3 | GAA 4401/4885HSP90AA1 3541/4885P2RX7 711/4885 |
“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.