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 | |
|---|---|---|---|---|
| ▸ | DPP4 known ✓ | P27487 | 3/20 | 0.34 |
| ▸ | HTR1A known ✓ | P08908 | 2/20 | 0.33 |
| ▸ | HTR3A known ✓ | P46098 | 2/20 | 0.33 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.32 |
| ▸ | GABRA1 known ✓ | P14867 | 1/20 | 0.32 |
| ▸ | GABRB1 known ✓ | P18505 | 1/20 | 0.32 |
| ▸ | GABRG2 known ✓ | P18507 | 1/20 | 0.32 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.32 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.32 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.32 |
| ▸ | GABRB3 known ✓ | P28472 | 1/20 | 0.32 |
| ▸ | GABRA5 known ✓ | P31644 | 1/20 | 0.32 |
| ▸ | GABRA3 known ✓ | P34903 | 1/20 | 0.32 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.32 |
| ▸ | GABRA2 known ✓ | P47869 | 1/20 | 0.32 |
| ▸ | GABRB2 known ✓ | P47870 | 1/20 | 0.32 |
| ▸ | GABRA4 known ✓ | P48169 | 1/20 | 0.32 |
| ▸ | GABRA6 known ✓ | Q16445 | 1/20 | 0.32 |
| ▸ | HCRTR1 known ✓ | O43613 | 1/20 | 0.32 |
| ▸ | HCRTR2 known ✓ | O43614 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1047507 | 0.98 | ALDH1A1 (0.39) | ALDH1A1POLBMAPTHTTSMN1; SMN2 | |
| SCHEMBL25808508 | 0.87 | ALDH1A1 (0.41) | ALDH1A1POLBMAPTHTTSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL739371 | 0.87 | GABRA1 (0.41) | ALDH1A1TSHRALOX15DPP4TDP1 | |
| Hydrochloric Acid SCHEMBL1727636 | 0.85 | DPP4 (0.40) | ALDH1A1TSHRALOX15DPP4TDP1 | |
| SCHEMBL456981 | 0.85 | GABRA1 (0.43) | ALDH1A1TSHRALOX15DPP4TDP1 | |
| Hydrochloric Acid SCHEMBL1609149 | 0.81 | ADRB1 (0.44) | ALDH1A1SMN1; SMN2TSHRALOX15LMNA | |
| Hydrochloric Acid SCHEMBL28554078 | 0.81 | ALDH1A1 (0.50) | ALDH1A1POLBMAPTHTTSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL451487 | 0.81 | ALDH1A1 (0.50) | ALDH1A1POLBMAPTHTTSMN1; SMN2 | |
| Toluene SCHEMBL23630013 | 0.80 | MAPT (0.44) | ALDH1A1POLBMAPTHTTSMN1; SMN2 | |
| SCHEMBL17120959 | 0.79 | LMNA (0.32) | ALDH1A1POLBMAPTHTTSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2574187-B1 | SQUALANE AND ISOSQUALANE COMPOSITIONS AND METHODS FOR PREPARING THE SAME | AMYRIS INC (US) | 2019-09-11 | — | — | EP | disclosed |
| US-20160331727-A9 | METHOD FOR TREATING FIBROSIS AND CANCER WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2016-11-17 | — | — | US | disclosed |
| US-20160000757-A1 | METHOD FOR TREATING FIBROSIS AND CANCER WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2016-01-07 | — | — | US | disclosed |
| US-9072729-B2 | Method for treating fibrosis and cancer with imidazolium and imidazolinium compounds | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2015-07-07 | — | — | US | disclosed |
| EP-2803356-A1 | Method for treating neurological disorders with imidazolium and imidazolinium compounds | Agency for Science, Technology and Research (SG) | 2014-11-19 | — | — | EP | disclosed |
| US-8586814-B2 | Squalane and isosqualane compositions and methods for preparing the same | Amyris, Inc. (US) | 2013-11-19 | — | — | US | disclosed |
| EP-2574187-A1 | SQUALANE AND ISOSQUALANE COMPOSITIONS AND METHODS FOR PREPARING THE SAME | Amyris Biotechnologies, Inc. (US) | 2013-04-03 | — | — | EP | disclosed |
| WO-2011146837-A1 | SQUALANE AND ISOSQUALANE COMPOSITIONS AND METHODS FOR PREPARING THE SAME | Amyris, Inc. (US) | 2011-11-24 | — | — | WO | disclosed |
| US-20110287988-A1 | SQUALANE AND ISOSQUALANE COMPOSITIONS AND METHODS FOR PREPARING THE SAME | EUAGORE, LLC | 2011-11-24 | — | — | US | disclosed |
| US-20110178040-A1 | METHOD FOR TREATING FIBROSIS AND CANCER WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2011-07-21 | — | — | US | disclosed |
| US-20110028513-A1 | METHOD FOR TREATING NEUROLOGICAL DISORDERS WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2011-02-03 | — | — | 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 (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-20110028513-A1 | METHOD FOR TREATING NEUROLOGICAL DISORDERS WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS | SMN1; SMN2, INA, NLN | DPP4 782/4885HTR1A 3799/4885HTR3A 2841/4885 |
| US-20110287988-A1 | SQUALANE AND ISOSQUALANE COMPOSITIONS AND METHODS FOR PREPARING THE SAME | SQLE, FDFT1, COASY | DPP4 3630/4885HTR1A 3578/4885HTR3A 3543/4885 |
| US-20110178040-A1 | METHOD FOR TREATING FIBROSIS AND CANCER WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS | MMP1, MYLK, MMP8 | DPP4 1055/4885HTR1A 4879/4885HTR3A 4671/4885 |
| US-20160331727-A9 | METHOD FOR TREATING FIBROSIS AND CANCER WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS | MMP1, MYLK, MMP8 | DPP4 1055/4885HTR1A 4879/4885HTR3A 4671/4885 |
| US-20160000757-A1 | METHOD FOR TREATING FIBROSIS AND CANCER WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS | MMP1, MYLK, MMP8 | DPP4 1055/4885HTR1A 4879/4885HTR3A 4671/4885 |
“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.