Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 2/20 | 0.33 |
| ▸ | NOS2 | P35228 | 2/20 | 0.33 |
| ▸ | SHBG | P04278 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9981000 | 0.79 | CA1 (0.31) | CYP2D6 | |
| SCHEMBL28379100 | 0.79 | CYP2D6 (0.50) | CYP2D6ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL87947 | 0.79 | CYP2D6 (0.50) | CYP2D6ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL29107614 | 0.79 | CYP2D6 (0.50) | CYP2D6ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4654324 | 0.78 | CYP2D6 (0.33) | CYP2D6NOS1NOS2SHBG | |
| SCHEMBL4125043 | 0.78 | CYP2D6 (0.49) | CYP2D6SHBGALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL26114997 | 0.76 | CYP2D6 (0.35) | CYP2D6NOS1NOS2ALDH1A1 | |
| Alcohol SCHEMBL28865888 | 0.75 | CYP2D6 (0.50) | CYP2D6ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10453942 | 0.72 | CYP2D6 (0.44) | CYP2D6ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL13104108 | 0.72 | CYP2D6 (0.44) | CYP2D6ALDH1A1CYP3A4CYP2C9CYP2C19 |
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-5154753-A | Cyclohexenone derivatives, their preparation and their use as herbicides and plant growth regulators | BASF AKTIENGESELLSCHAFT (DE) | 1992-10-13 | — | — | US | disclosed |