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 | 4/20 | 0.52 |
| ▸ | ESR2 known ✓ | Q92731 | 4/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.60 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 3/20 | 0.41 |
| ▸ | CES1 | P23141 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
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 SCHEMBL30524941 | 1.00 | CYP3A4 (0.60) | CYP3A4TDP1ESR1ESR2CA2 | |
| Acetic Acid SCHEMBL30626103 | 1.00 | CYP3A4 (0.60) | CYP3A4TDP1ESR1ESR2CA2 | |
| Acetic Acid SCHEMBL8422529 | 0.95 | CYP3A4 (0.55) | CYP3A4TDP1ESR1ESR2CA2 | |
| Acetic Acid SCHEMBL3826322 | 0.95 | CYP3A4 (0.55) | CYP3A4TDP1ESR1ESR2CA2 | |
| Acetic Acid SCHEMBL11476237 | 0.95 | CYP3A4 (0.60) | CYP3A4TDP1ESR1ESR2CA2 | |
| Acetic Acid SCHEMBL8425843 | 0.95 | CYP3A4 (0.60) | CYP3A4TDP1ESR1ESR2CA2 | |
| Acetic Acid SCHEMBL57505 | 0.95 | CYP3A4 (0.60) | CYP3A4TDP1ESR1ESR2CA2 | |
| Acetic Acid SCHEMBL8693165 | 0.95 | CYP3A4 (0.60) | CYP3A4TDP1ESR1ESR2CA2 | |
| Acetic Acid SCHEMBL11476234 | 0.95 | CYP3A4 (0.60) | CYP3A4TDP1ESR1ESR2CA2 | |
| Acetic Acid SCHEMBL366510 | 0.95 | CYP3A4 (0.60) | CYP3A4TDP1ESR1ESR2CA2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115403631-A | Anti-tumor compound and preparation method and application thereof | 中国计量大学 | 2022-11-29 | — | — | CN | disclosed |
| CN-110475783-B | Cationic ruthenium complex, preparation method and application thereof | 高砂香料工业株式会社 | 2022-10-21 | — | — | CN | disclosed |