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 | 0.46 |
| ▸ | CES1 | P23141 | 2/20 | 0.52 |
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 2/20 | 0.52 |
| ▸ | SOAT1 | P35610 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | FAAH | O00519 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | CNR1 | P21554 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | PPARG | P37231 | 6/20 | 0.46 |
| ▸ | PPARD | Q03181 | 6/20 | 0.46 |
| ▸ | PPARA | Q07869 | 6/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.46 |
| ▸ | TSHR | P16473 | 4/20 | 0.46 |
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 SCHEMBL8815635 | 0.92 | MEN1 (0.61) | CES1CES2TP53SOAT1MEN1 | |
| Acetone SCHEMBL1401908 | 0.92 | CES1 (0.55) | CES1CES2TP53SOAT1MEN1 | |
| SCHEMBL20284 | 0.91 | — | — | |
| SCHEMBL28855277 | 0.91 | CES1 (0.61) | CES1CES2TP53SOAT1MEN1 | |
| Octadecanoic Acid Amide SCHEMBL30694300 | 0.90 | MEN1 (0.65) | CES1CES2TP53SOAT1MEN1 | |
| Acetic Acid SCHEMBL7934198 | 0.90 | MEN1 (0.65) | CES1CES2TP53SOAT1MEN1 | |
| Acetic Acid SCHEMBL30180591 | 0.90 | MEN1 (0.65) | CES1CES2TP53SOAT1MEN1 | |
| Acetic Acid SCHEMBL29742694 | 0.90 | MEN1 (0.65) | CES1CES2TP53SOAT1MEN1 | |
| Acetic Acid SCHEMBL29742693 | 0.90 | MEN1 (0.65) | CES1CES2TP53SOAT1MEN1 | |
| Octadecanoic Acid Amide SCHEMBL10927843 | 0.90 | MEN1 (0.65) | CES1CES2TP53SOAT1MEN1 |
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-114340636-A | Method of treatment | 细胞内治疗公司 | 2022-04-12 | — | — | CN | disclosed |
| CN-103415507-A | 3-amino-pyridines as GPBAR1 agonists | HOFFMANN LA ROCHE | 2013-11-27 | — | — | CN | disclosed |
| CN-1518541-A | Phenyl derivatives | Ĭ��ר���ɷ�����˾ | 2004-08-04 | — | — | CN | disclosed |