Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic 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 | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 8/20 | 0.79 |
| ▸ | CA2 | P00918 | 7/20 | 0.79 |
| ▸ | CA1 | P00915 | 6/20 | 0.79 |
| ▸ | CA7 | P43166 | 4/20 | 0.79 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.79 |
| ▸ | CA9 | Q16790 | 5/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | RECQL | P46063 | 1/20 | 0.53 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | CA3 | P07451 | 1/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.47 |
| ▸ | CA6 | P23280 | 1/20 | 0.47 |
| ▸ | CA5A | P35218 | 1/20 | 0.47 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL27996820 | 0.89 | CA2 (1.00) | CA12CA2CA1CA7CA14 | |
| SCHEMBL49549 | 0.89 | CA2 (1.00) | CA12CA2CA1CA7CA14 | |
| Hydrochloric Acid SCHEMBL27456863 | 0.87 | CA2 (0.96) | CA12CA2CA1CA7CA14 | |
| SCHEMBL3648128 | 0.87 | CA2 (0.96) | CA12CA2CA1CA7CA14 | |
| Fluoride SCHEMBL4755725 | 0.87 | CA2 (0.96) | CA12CA2CA1CA7CA14 | |
| O-Xylene SCHEMBL27934020 | 0.84 | CA2 (0.81) | CA12CA2CA1CA7CA14 | |
| Formic Acid Methyl Ester SCHEMBL27898353 | 0.79 | CA2 (0.73) | CA12CA2CA1CA7CA14 | |
| SCHEMBL2071581 | 0.79 | CA2 (0.79) | CA12CA2CA1CA7CA14 | |
| SCHEMBL4636919 | 0.78 | HPGDS (0.62) | CA12CA2CA1CA7CA14 | |
| SCHEMBL15899808 | 0.77 | CYP19A1 (0.58) | CA12CA2CA1CA7CA14 |
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-101801311-A | Wound healing device | BRIGHAM & WOMENS HOSPITAL | 2010-08-11 | — | — | CN | disclosed |