Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL8444573 | 0.86 | AR (0.36) | SCN9AMEN1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7967445 | 0.82 | TRPV4 (0.37) | SCN9AMEN1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL4625485 | 0.80 | BCAT2 (0.44) | SCN9A | |
| SCHEMBL7164579 | 0.79 | MEN1 (0.33) | MEN1CYP1A2CYP2C9CYP2C19KMT2A | |
| SCHEMBL6912537 | 0.76 | MEN1 (0.33) | MEN1CYP1A2CYP2C9CYP2C19KMT2A | |
| SCHEMBL5398257 | 0.73 | CYP1A2 (0.35) | MEN1CYP1A2CYP2C9CYP2C19KMT2A | |
| SCHEMBL6911659 | 0.72 | PTGDR2 (0.37) | — | |
| SCHEMBL8566825 | 0.71 | GAA (0.36) | SCN9AMEN1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8566222 | 0.70 | MEN1 (0.38) | MEN1CYP1A2CYP2C9CYP2C19KMT2A | |
| SCHEMBL27322874 | 0.70 | MEN1 (0.36) | MEN1CYP1A2CYP2C9CYP2C19KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0897383-A1 | 3-CYANOARYL PYRAZOLES AND THEIR USE AS HERBICIDES | BAYER AG (DE) | 1999-02-24 | — | — | EP | disclosed |
| WO-1997040018-A1 | 3-CYANOARYL PYRAZOLES AND THEIR USE AS HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1997-10-30 | — | — | WO | disclosed |