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 | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 5/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.39 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.39 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5507377 | 0.83 | HSD11B1 (0.39) | CYP2C19HSD11B1ALDH1A1CYP3A4POLB | |
| Acetic Acid SCHEMBL11332370 | 0.74 | CYP2C19 (0.57) | CYP2C19LMNAALDH1A1CYP2C9L3MBTL1 | |
| SCHEMBL28708090 | 0.73 | TAAR1 (0.39) | CYP2C19HSD11B1LMNAALDH1A1POLB | |
| Acetic Acid SCHEMBL6386413 | 0.72 | CYP2C19 (0.55) | CYP2C19LMNAALDH1A1CYP2C9L3MBTL1 | |
| SCHEMBL30864055 | 0.72 | L3MBTL1 (0.48) | CYP2C19ALDH1A1CYP3A4CYP2C9L3MBTL1 | |
| SCHEMBL8285020 | 0.71 | HSD11B1 (0.47) | HSD11B1ALDH1A1L3MBTL1POLBHPGD | |
| Acetic Acid SCHEMBL4752723 | 0.71 | CYP2C19 (0.53) | CYP2C19LMNAALDH1A1CYP2C9L3MBTL1 | |
| Acetic Acid SCHEMBL11332366 | 0.71 | CYP2C19 (0.53) | CYP2C19LMNAALDH1A1CYP2C9L3MBTL1 | |
| Acetic Acid SCHEMBL28035079 | 0.70 | TAAR1 (0.50) | CYP2C19ALDH1A1L3MBTL1POLBHPGD | |
| SCHEMBL14074888 | 0.70 | HSD11B1 (0.49) | CYP2C19HSD11B1LMNAALDH1A1SLC1A3 |
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-117917416-A | KRAS G12D degradation agent and preparation method and application thereof | 上海领泰生物医药科技有限公司 | 2024-04-23 | — | — | CN | disclosed |