Known targets — ChEMBL curated mechanism
S1PR1S1PR2S1PR3S1PR4S1PR5rplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 9/20 | 0.43 |
| ▸ | CA2 | P00918 | 9/20 | 0.43 |
| ▸ | CA9 | Q16790 | 8/20 | 0.43 |
| ▸ | CA12 | O43570 | 3/20 | 0.43 |
| ▸ | CA7 | P43166 | 3/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.43 |
| ▸ | CA3 | P07451 | 2/20 | 0.43 |
| ▸ | CA4 | P22748 | 2/20 | 0.43 |
| ▸ | CA6 | P23280 | 2/20 | 0.43 |
| ▸ | CA5A | P35218 | 2/20 | 0.43 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.43 |
| ▸ | RECQL | P46063 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | PLA2G2C | Q5R387 | 1/20 | 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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL28062527 | 0.92 | CA1 (0.44) | CA1CA2CA9CA12CA7 | |
| Sulfuric Acid SCHEMBL28105906 | 0.91 | CA1 (0.43) | CA1CA2CA9CA12CA7 | |
| SCHEMBL27463953 | 0.89 | CA1 (0.47) | CA1CA2CA9CA12CA7 | |
| Sulfuric Acid SCHEMBL5864144 | 0.89 | TSHR (0.47) | CA1CA2CA9CA12CA7 | |
| SCHEMBL1426857 | 0.87 | CA1 (0.46) | CA1CA2CA9CA12CA7 | |
| Sulfuric Acid SCHEMBL28579868 | 0.87 | TSHR (0.46) | CA1CA2CA9CA12CA7 | |
| Sulfuric Acid SCHEMBL31031688 | 0.87 | TSHR (0.46) | CA1CA2CA9CA12CA7 | |
| Sulfuric Acid SCHEMBL2041686 | 0.87 | TSHR (0.46) | CA1CA2CA9CA12CA7 | |
| Sulfuric Acid SCHEMBL366479 | 0.87 | TSHR (0.44) | CA1CA2CA9CA12CA7 | |
| Sulfuric Acid SCHEMBL28087109 | 0.86 | TSHR (0.42) | CA1CA2CA9CA12CA7 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1054253-A | Copolymer latex of vinyl acetate and cis (trans) butenedioic acid diisoamyl alcohol ester | INST OF YUEYANG PETRO CHEMICAL (CN) | 1991-09-04 | — | — | CN | claimed |