Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 5/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | PDK2 | Q15119 | 4/20 | 0.42 |
| ▸ | CTSV | O60911 | 1/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.39 |
| ▸ | LTA4H | P09960 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14600410 | 0.99 | CYP2D6 (0.44) | CYP2D6CYP19A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL14600421 | 0.99 | CYP2D6 (0.44) | CYP2D6CYP19A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL14600383 | 0.98 | CYP2D6 (0.41) | CYP2D6CYP19A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL14600345 | 0.97 | CYP2D6 (0.45) | CYP2D6CYP19A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL14600495 | 0.96 | PDK2 (0.45) | CYP2D6CYP19A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL14600428 | 0.96 | PDK2 (0.45) | CYP2D6CYP19A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL14600331 | 0.96 | CYP2D6 (0.42) | CYP2D6CYP19A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL10154004 | 0.95 | PDK2 (0.46) | CYP2D6CYP19A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL14600360 | 0.95 | PDK2 (0.46) | CYP2D6CYP19A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL14600457 | 0.95 | PDK2 (0.46) | CYP2D6CYP19A1CYP2C9CYP2C19CYP1A2 |
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-7166240-B2 | Hydrocarbon compounds, materials for organic electroluminescent elements and organic electroluminescent elements | MITSUI CHEMICALS, INC. (JP) | 2007-01-23 | — | — | US | disclosed |