Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 7/20 | 0.73 |
| ▸ | HPGD | P15428 | 1/20 | 0.73 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.46 |
| ▸ | TP53 | P04637 | 3/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | ZDHHC20 | Q5W0Z9 | 2/20 | 0.37 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.36 |
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 SCHEMBL2146545 | 0.97 | TSHR (0.79) | TSHRHPGDALDH1A1CYP3A4ATM | |
| Acrylonitrile SCHEMBL5833833 | 0.97 | TSHR (0.79) | TSHRHPGDALDH1A1CYP3A4ATM | |
| Acrylonitrile SCHEMBL26970011 | 0.94 | TSHR (0.69) | TSHRHPGDALDH1A1CYP3A4ATM | |
| Acrylonitrile SCHEMBL27953278 | 0.93 | TSHR (0.73) | TSHRHPGDALDH1A1CYP3A4ATM | |
| Acrylonitrile SCHEMBL28102809 | 0.93 | TSHR (0.73) | TSHRHPGDALDH1A1CYP3A4ATM | |
| Acrylonitrile SCHEMBL2536972 | 0.93 | TSHR (0.73) | TSHRHPGDALDH1A1CYP3A4ATM | |
| Acrylic Acid SCHEMBL1373727 | 0.92 | TSHR (0.71) | TSHRHPGDALDH1A1CYP3A4ATM | |
| Benzene SCHEMBL28121594 | 0.92 | TSHR (0.71) | TSHRHPGDALDH1A1CYP3A4ATM | |
| Acrylic Acid Ethyl Ester SCHEMBL1091906 | 0.92 | TSHR (0.71) | TSHRHPGDALDH1A1CYP3A4ATM | |
| Di(Hydroxyethyl)Ether SCHEMBL25340709 | 0.91 | TSHR (0.65) | TSHRHPGDALDH1A1CYP3A4ATM |
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 |
|---|---|---|---|---|---|---|---|
| US-20200207898-A1 | COMPOSITION AND POSITIVE-ELECTRODE BINDER COMPOSITION | DENKA COMPANY LIMITED (JP) | 2020-07-02 | — | — | US | disclosed |