Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.44 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.43 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.43 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.42 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.42 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.42 |
| ▸ | MTOR | P42345 | 1/20 | 0.41 |
| ▸ | ADK | P55263 | 1/20 | 0.41 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.41 |
| ▸ | GPR3 | P46089 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL31419337 | 0.98 | CYP1A2 (0.47) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL15809922 | 0.98 | CYP1A2 (0.47) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL8538742 | 0.94 | CYP1A2 (0.48) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL8540945 | 0.82 | CSNK1A1 (0.42) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL8614473 | 0.82 | CSNK1A1 (0.48) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL11151750 | 0.81 | CYP1A2 (0.44) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL17304239 | 0.81 | CSNK1A1 (0.53) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL8687637 | 0.81 | CYP1A2 (0.42) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL8539363 | 0.79 | CSNK1A1 (0.42) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL6367697 | 0.79 | NISCH (0.43) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-4944768-A | IMPROVED WATER SOLUBILITY | CIBA-GEIGY CORPORATION (US) | 1990-07-31 | — | — | US | disclosed |
| EP-0251760-A2 | Rubber composition | Bridgestone Corporation (JP) | 1988-01-07 | — | — | EP | disclosed |