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 | |
|---|---|---|---|---|
| ▸ | TTR | P02766 | 2/20 | 0.53 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.52 |
| ▸ | GLA | P06280 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | BCHE | P06276 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | HNF4A | P41235 | 1/20 | 0.47 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | TNKS | O95271 | 1/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.45 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.45 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1425963 | 0.90 | TTR (0.63) | TTRTRPA1MAPTBCHECYP2C19 | |
| SCHEMBL1425965 | 0.90 | TTR (0.63) | TTRTRPA1MAPTBCHECYP2C19 | |
| (Z)-1,2-Diphenylethene SCHEMBL7706163 | 0.83 | GLA (0.70) | TTRGLATDP1MAPTBCHE | |
| (Z)-1,2-Diphenylethene SCHEMBL7706161 | 0.83 | GLA (0.70) | TTRGLATDP1MAPTBCHE | |
| SCHEMBL11748120 | 0.81 | TTR (0.53) | TTRTRPA1MAPTBCHECYP2C19 | |
| SCHEMBL18442131 | 0.80 | TRPA1 (0.47) | TTRTRPA1TDP1MAPTBCHE | |
| SCHEMBL10724024 | 0.79 | TRPA1 (0.46) | TTRTRPA1GLATDP1MAPT | |
| SCHEMBL358117 | 0.78 | TRPA1 (0.70) | TTRTRPA1MAPTBCHENFE2L2 | |
| SCHEMBL358118 | 0.78 | TRPA1 (0.70) | TTRTRPA1MAPTBCHENFE2L2 | |
| SCHEMBL11292369 | 0.78 | TRPA1 (0.58) | TTRTRPA1TDP1MAPTBCHE |
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-116284104-A | Stilbene compound containing silyl ether, and synthetic method and application thereof | 江苏师范大学 | 2023-06-23 | — | — | CN | claimed |
| CN-116284104-A | Stilbene compound containing silyl ether, and synthetic method and application thereof | 江苏师范大学 | 2023-06-23 | — | — | CN | disclosed |