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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.73 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.73 |
| ▸ | CA1 | P00915 | 4/20 | 0.73 |
| ▸ | CA2 | P00918 | 4/20 | 0.73 |
| ▸ | CA12 | O43570 | 3/20 | 0.73 |
| ▸ | CA7 | P43166 | 3/20 | 0.73 |
| ▸ | CA9 | Q16790 | 3/20 | 0.73 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.73 |
| ▸ | LMNA | P02545 | 1/20 | 0.70 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.70 |
| ▸ | MAOA | P21397 | 1/20 | 0.70 |
| ▸ | MEN1 | O00255 | 1/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.62 |
| ▸ | HPGD | P15428 | 4/20 | 0.61 |
| ▸ | HTT | P42858 | 2/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.61 |
| ▸ | RAB9A | P51151 | 3/20 | 0.59 |
| ▸ | NPC1 | O15118 | 2/20 | 0.59 |
| ▸ | GAA | P10253 | 1/20 | 0.59 |
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 SCHEMBL27873122 | 0.93 | CA1 (0.76) | CA1CA2CA12CA7CA9 | |
| SCHEMBL87450 | 0.93 | CA1 (0.83) | CA1CA2CA12CA7CA9 | |
| Ethyl Benzoate SCHEMBL28486260 | 0.91 | LMNA (0.66) | CA1CA2CA12CA7CA9 | |
| SCHEMBL7746905 | 0.91 | CA1 (0.79) | CA1CA2CA12CA7CA9 | |
| SCHEMBL29504635 | 0.91 | CA1 (0.79) | CA1CA2CA12CA7CA9 | |
| SCHEMBL27667926 | 0.91 | CA1 (0.79) | CA1CA2CA12CA7CA9 | |
| SCHEMBL30271267 | 0.91 | CA1 (0.79) | CA1CA2CA12CA7CA9 | |
| SCHEMBL27667917 | 0.91 | CA1 (0.79) | CA1CA2CA12CA7CA9 | |
| SCHEMBL21440358 | 0.91 | CA1 (0.79) | CA1CA2CA12CA7CA9 | |
| SCHEMBL27667923 | 0.91 | CA1 (0.79) | CA1CA2CA12CA7CA9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113912795-B | Polyisomonoolefin copolymer, preparation method thereof, initiator and application | 北京石油化工学院 | 2022-11-22 | — | — | CN | claimed |
| CN-111378102-B | Hydrolysis-resistant water-based polyester resin and preparation method and application thereof | 江门市制漆厂有限公司 | 2022-06-10 | — | — | CN | claimed |
| CN-111378102-B | Hydrolysis-resistant water-based polyester resin and preparation method and application thereof | 江门市制漆厂有限公司 | 2022-06-10 | — | — | CN | disclosed |