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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MRGPRX4 | Q96LA9 | 4/20 | 0.41 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | TTR | P02766 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11168519 | 0.93 | KMT2A (0.49) | KMT2AMEN1MAPTTDP1TSHR | |
| Acetic Acid SCHEMBL28592713 | 0.90 | TDP1 (0.47) | KMT2AMEN1MAPTTDP1TSHR | |
| Acetic Acid SCHEMBL28596119 | 0.90 | TDP1 (0.47) | KMT2AMEN1MAPTTDP1TSHR | |
| Acetic Acid SCHEMBL28599804 | 0.84 | LMNA (0.43) | KMT2AMEN1MAPTTDP1TSHR | |
| SCHEMBL11178796 | 0.79 | TDP1 (0.53) | KMT2AMEN1MAPTTDP1TSHR | |
| SCHEMBL29472205 | 0.79 | TDP1 (0.53) | KMT2AMEN1MAPTTDP1TSHR | |
| SCHEMBL3785300 | 0.79 | KMT2A (0.53) | KMT2AMEN1MAPTTDP1TSHR | |
| SCHEMBL11623020 | 0.77 | TDP1 (0.48) | KMT2AMEN1MAPTTDP1TSHR | |
| SCHEMBL28437072 | 0.77 | KMT2A (0.54) | KMT2AMEN1MAPTTDP1TSHR | |
| SCHEMBL31572520 | 0.77 | TDP1 (0.56) | KMT2AMEN1MAPTTDP1TSHR |
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-106905802-B | Antifouling coating composition and coated article having coating film thereof | 关西涂料株式会社 | 2021-06-25 | — | — | CN | disclosed |