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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 2/20 | 0.36 |
| ▸ | ESR2 known ✓ | Q92731 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | RBP4 | P02753 | 3/20 | 0.37 |
| ▸ | DRD1 | P21728 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | RXRA | P19793 | 1/20 | 0.36 |
| ▸ | RXRB | P28702 | 1/20 | 0.36 |
| ▸ | RXRG | P48443 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10718341 | 0.92 | TDP1 (0.46) | ALDH1A1TDP1TSHRCYP3A4ATM | |
| SCHEMBL31347392 | 0.92 | TDP1 (0.46) | ALDH1A1TDP1TSHRCYP3A4ATM | |
| SCHEMBL5966345 | 0.81 | ESR1 (0.50) | ALDH1A1TDP1TSHRCYP3A4CA2 | |
| SCHEMBL6275546 | 0.80 | CA2 (0.55) | ALDH1A1TDP1TSHRCYP3A4ATM | |
| SCHEMBL3762017 | 0.80 | ALDH1A1 (0.48) | ALDH1A1TDP1TSHRATMCA2 | |
| SCHEMBL29826244 | 0.80 | ALDH1A1 (0.48) | ALDH1A1TDP1TSHRATMCA2 | |
| Acetic Acid SCHEMBL7629010 | 0.77 | CYP3A4 (0.67) | ALDH1A1TDP1TSHRCYP3A4CA2 | |
| Acetic Acid SCHEMBL6135660 | 0.77 | CYP3A4 (0.67) | ALDH1A1TDP1TSHRCYP3A4CA2 | |
| Acetic Acid SCHEMBL8050008 | 0.77 | CYP3A4 (0.67) | ALDH1A1TDP1TSHRCYP3A4CA2 | |
| Acetic Acid SCHEMBL158139 | 0.77 | CYP3A4 (0.67) | ALDH1A1TDP1TSHRCYP3A4CA2 |
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-119421877-A | Substituted heterocyclic compounds as HSET inhibitors | 默克专利股份公司 | 2025-02-11 | — | — | CN | disclosed |
| CN-119176799-A | Chromene derivatives and their use | 晨伫(杭州)生物科技有限责任公司 | 2024-12-24 | — | — | CN | disclosed |