Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acrylonitrile. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Acrylonitrile SCHEMBL388549 | 1.00 | — | — | |
| Acrylonitrile SCHEMBL28209168 | 0.94 | ALDH1A1 (0.50) | ALDH1A1TSHRFFAR3LCKFYN | |
| Acrylonitrile SCHEMBL11507525 | 0.90 | — | — | |
| Acrylonitrile SCHEMBL180053 | 0.87 | — | — | |
| Methacrylic Acid SCHEMBL632801 | 0.86 | ALDH1A1 (0.47) | ALDH1A1TSHRFFAR3LCKFYN | |
| Methacrylic Acid SCHEMBL28566887 | 0.86 | ALDH1A1 (0.47) | ALDH1A1TSHRFFAR3LCKFYN | |
| Methacrylic Acid SCHEMBL16894605 | 0.86 | ALDH1A1 (0.47) | ALDH1A1TSHRFFAR3LCKFYN | |
| Acrylonitrile SCHEMBL11122694 | 0.85 | — | — | |
| Acrylonitrile SCHEMBL5678836 | 0.85 | ALDH1A1 (0.53) | ALDH1A1TSHRLMNA | |
| Acrylonitrile SCHEMBL27932458 | 0.85 | ALDH1A1 (0.53) | ALDH1A1TSHRLMNATDP1 |
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-108697094-A | Antiviral agent, coating composition, resin composition, and antiviral product | 东亚合成株式会社 | 2018-10-23 | — | — | CN | disclosed |