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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL202979 | 0.98 | CA1 (0.38) | CA1MEN1TSHRKMT2ACES2 | |
| Acetic Acid SCHEMBL342646 | 0.98 | CA1 (0.38) | CA1MEN1TSHRKMT2ACES2 | |
| Acetic Acid SCHEMBL4881564 | 0.82 | CES2 (0.38) | TSHRCES2CES1 | |
| Acetic Acid SCHEMBL1450680 | 0.82 | EPHX1 (0.32) | — | |
| Acetic Acid SCHEMBL1450786 | 0.80 | EPHX1 (0.34) | — | |
| Acetic Acid SCHEMBL3009441 | 0.80 | CES2 (0.36) | TSHRCES2CES1 | |
| Acetic Acid SCHEMBL3009445 | 0.80 | CES2 (0.36) | TSHRCES2CES1 | |
| Acetic Acid SCHEMBL2465122 | 0.80 | CES2 (0.36) | TSHRCES2CES1 | |
| Trifluoroacetic Acid SCHEMBL3175960 | 0.79 | — | — | |
| Trifluoroacetic Acid SCHEMBL3181588 | 0.78 | CES2 (0.31) | CES2CES1 |
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-1290275-A | Catalyst and process for polymerization of cycloolefin | GOODRICH CO B F (US) | 2001-04-04 | — | — | CN | disclosed |