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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.42 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 5/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.56 |
| ▸ | LMNA | P02545 | 4/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | SCN1A | P35498 | 3/20 | 0.46 |
| ▸ | SCN2A | Q99250 | 3/20 | 0.46 |
| ▸ | SCN3A | Q9NY46 | 3/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28209306 | 0.95 | TSHR (0.59) | TSHRCYP3A4MAPK1TP53ALDH1A1 | |
| Sulfuric Acid SCHEMBL28285567 | 0.92 | TSHR (0.56) | TSHRCYP3A4MAPK1TP53ALDH1A1 | |
| Acetic Acid SCHEMBL29011401 | 0.80 | KDM4E (0.58) | TSHRALDH1A1LMNATDP1KDM4E | |
| SCHEMBL23332021 | 0.79 | TSHR (0.69) | TSHRCYP3A4MAPK1TP53ALDH1A1 | |
| Acetic Acid SCHEMBL27752340 | 0.78 | ALDH1A1 (0.90) | TSHRCYP3A4MAPK1TP53ALDH1A1 | |
| Benzene SCHEMBL28832493 | 0.78 | ALDH1A1 (0.90) | TSHRCYP3A4MAPK1TP53ALDH1A1 | |
| SCHEMBL3805742 | 0.77 | TSHR (0.78) | TSHRCYP3A4MAPK1TP53ALDH1A1 | |
| SCHEMBL30173476 | 0.77 | TSHR (0.78) | TSHRCYP3A4MAPK1TP53ALDH1A1 | |
| SCHEMBL3805684 | 0.77 | KDM4E (0.57) | TSHRALDH1A1LMNATDP1KDM4E | |
| SCHEMBL27528077 | 0.76 | TSHR (0.71) | TSHRCYP3A4MAPK1TP53ALDH1A1 |
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-105439877-B | The prodrug of positively charged water-soluble Diflunisal and related compound | 于崇曦 | 2019-07-23 | — | — | CN | disclosed |