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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 known ✓ | P29475 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 4/20 | 0.57 |
| ▸ | CA4 | P22748 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | THPO | P40225 | 1/20 | 0.31 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.31 |
| ▸ | LCK | P06239 | 1/20 | 0.31 |
| ▸ | FYN | P06241 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 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 SCHEMBL7211735 | 0.96 | — | — | |
| Acetic Acid SCHEMBL19432974 | 0.96 | — | — | |
| Acetic Acid SCHEMBL28224351 | 0.93 | CA1 (0.57) | CA1CA4MEN1KMT2AMAPK1 | |
| Acetic Acid SCHEMBL28228738 | 0.93 | CA1 (0.57) | CA1CA4MEN1KMT2AMAPK1 | |
| Acetic Acid SCHEMBL31563627 | 0.93 | CA1 (0.57) | CA1CA4MEN1KMT2AMAPK1 | |
| Acetic Acid SCHEMBL28310004 | 0.93 | CA1 (0.57) | CA1CA4MEN1KMT2AMAPK1 | |
| Acetic Acid SCHEMBL6402632 | 0.90 | CA1 (0.53) | CA1CA4MEN1KMT2AMAPK1 | |
| Acetic Acid SCHEMBL12465625 | 0.89 | CA1 (0.61) | CA1CA4MEN1KMT2AMAPK1 | |
| Acetic Acid SCHEMBL11660792 | 0.89 | CA1 (0.61) | CA1CA4MEN1KMT2AMAPK1 | |
| Acetic Acid SCHEMBL7517431 | 0.89 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6518219-B1 | Catalyst for hydrorefining fraction oils, its carrier and preparation | CHINA PETROCHEMICAL CORPORATION (CN) | 2003-02-11 | — | — | US | disclosed |