Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Benzoic Acid Vinyl Ester. 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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | F2 | P00734 | 1/20 | 0.50 |
| ▸ | AKT1 | P31749 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Benzoic Acid Vinyl Ester SCHEMBL27487096 | 0.96 | TSHR (0.52) | TSHRLMNAF2AKT1TDP1 | |
| Benzoic Acid Vinyl Ester SCHEMBL28299445 | 0.94 | TSHR (0.50) | TSHRLMNAF2AKT1TDP1 | |
| Benzoic Acid Vinyl Ester SCHEMBL14903 | 0.94 | LMNA (0.56) | TSHRLMNAF2AKT1TDP1 | |
| Benzoic Acid Vinyl Ester SCHEMBL28106984 | 0.94 | LMNA (0.56) | TSHRLMNAF2AKT1TDP1 | |
| Benzoic Acid Vinyl Ester SCHEMBL6550693 | 0.92 | TSHR (0.48) | TSHRLMNAF2AKT1TDP1 | |
| Benzoic Acid Vinyl Ester SCHEMBL28153430 | 0.92 | TSHR (0.52) | TSHRLMNAF2AKT1TDP1 | |
| Benzoic Acid Vinyl Ester SCHEMBL6552669 | 0.92 | LMNA (0.54) | TSHRLMNAF2AKT1TDP1 | |
| Benzoic Acid Vinyl Ester SCHEMBL6551336 | 0.92 | LMNA (0.54) | TSHRLMNAF2AKT1TDP1 | |
| Benzoic Acid Vinyl Ester SCHEMBL5014943 | 0.92 | LMNA (0.54) | TSHRLMNAF2AKT1TDP1 | |
| Benzoic Acid Vinyl Ester SCHEMBL5014521 | 0.92 | LMNA (0.54) | TSHRLMNAF2AKT1TDP1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108794304-B | Alkynyl nonanetriol compound and preparation method and application thereof | 湖南科技大学 | 2021-01-29 | — | — | CN | claimed |
| CN-108794304-B | Alkynyl nonanetriol compound and preparation method and application thereof | 湖南科技大学 | 2021-01-29 | — | — | CN | disclosed |
| EP-2566841-A1 | PROCESS FOR THE SEMI-CONTINUOUS TRANSVINYLATION OF CARBOXYLIC ACIDS WITH VINYL ACETATE | Celanese International Corporation (US) | 2013-03-13 | — | — | EP | disclosed |
| WO-2011139361-A1 | PROCESS FOR THE SEMI-CONTINUOUS TRANSVINYLATION OF CARBOXYLIC ACIDS WITH VINYL ACETATE | CELANESE INTERNATIONAL CORPORATION (US) | 2011-11-10 | — | — | WO | disclosed |
| CN-101548206-A | Wire grid type polarizing plate, method for producing same, and retardation film and liquid crystal display element using same | NIPPON OIL CORP (JP) | 2009-09-30 | — | — | CN | disclosed |