Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Iodide SCHEMBL5858253 | 0.90 | TSHR (0.47) | TSHRALDH1A1TRPA1CYP3A4HPGD | |
| Hydrochloric Acid SCHEMBL2339791 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL29741437 | 0.90 | TSHR (0.47) | TSHRALDH1A1TRPA1CYP3A4HPGD | |
| Hydrochloric Acid SCHEMBL5273655 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL2343985 | 0.90 | TSHR (0.47) | TSHRALDH1A1TRPA1CYP3A4HPGD | |
| Hydrochloric Acid SCHEMBL9737296 | 0.90 | TSHR (0.47) | TSHRALDH1A1TRPA1CYP3A4HPGD | |
| SCHEMBL8852489 | 0.89 | TSHR (0.54) | TSHRALDH1A1TRPA1CYP3A4HPGD | |
| SCHEMBL23732 | 0.89 | — | — | |
| SCHEMBL23116592 | 0.84 | — | — | |
| Phosphine SCHEMBL20503111 | 0.84 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101146618-B | Unsymmetrically substituted phospholane catalysts | EVONIK DEGUSSA GMBH | 2012-08-29 | — | — | CN | disclosed |
| CN-101314608-A | Bidentate organophosphor ligand and uses thereof | EVONIK DEGUSSA AG (DE) | 2008-12-03 | — | — | CN | disclosed |
| CN-101235052-A | Asymmetric chirality diphosphine ligand | EVONIK DEGUSSA AG (DE) | 2008-08-06 | — | — | CN | disclosed |
| CN-101146618-A | Unsymmetrically substituted phospholane catalysts | DEGUSSA (DE) | 2008-03-19 | — | — | CN | disclosed |
| CN-101023092-A | Novel bisphosphane catalysts | DEGUSSA (DE) | 2007-08-22 | — | — | CN | disclosed |
| CN-1946730-A | Cycloalkenylphosphine ligands and their use in catalysis | DEGUSSA (DE) | 2007-04-11 | — | — | CN | disclosed |
| US-7081544-B2 | aromatic fused phosphepine ligands, e.g., 4-Phenyl-4,5-dihydro-3H-dinaphtho[2,1-c; 1',2'-e]phosphepine and their preparation from 2,2'-dimethylbiphenyls or binaphthyls and aminophosphorus dichlorides or aryl or alkyl phosphorus dichlorides; hydrogenation catalysts with metal compounds | DEGUSSA AG (DE) | 2006-07-25 | — | — | US | disclosed |
| US-7009065-B2 | Ferrocenyl ligands and the use thereof in catalysis | DEGUSSA AG (DE) | 2006-03-07 | — | — | US | disclosed |
| US-20050234253-A1 | Ferrocenyl ligands and the use thereof in catalysis | DEGUSSA AG (DE) | 2005-10-20 | — | — | US | disclosed |
| US-20040249184-A1 | Novel chiral ligands, transition metal complexes thereof, and the catalytic use of the same | EVONIK DEGUSSA GMBH (DE) | 2004-12-09 | — | — | US | disclosed |
| CN-1323311-A | Substituted isophosphindolines and their use | AVENTIS RES & TECH GMBH & CO (DE) | 2001-11-21 | — | — | CN | 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 (2 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-20050234253-A1 | Ferrocenyl ligands and the use thereof in catalysis | FECH, SLC40A1, FDPS | TSHR 1166/4885ALDH1A1 2172/4885TRPA1 1373/4885 |
| US-20040249184-A1 | Novel chiral ligands, transition metal complexes thereof, and the catalytic use of the same | SOD1, COASY, SPR | TSHR 3769/4885ALDH1A1 575/4885TRPA1 1533/4885 |
“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.