Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | SLC2A1 | P11166 | 2/20 | 0.51 |
| ▸ | SLC2A2 | P11168 | 2/20 | 0.51 |
| ▸ | SLC2A3 | P11169 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | DRD2 | P14416 | 3/20 | 0.49 |
| ▸ | DRD4 | P21917 | 1/20 | 0.49 |
| ▸ | DRD3 | P35462 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL30585959 | 0.95 | SLC2A1 (0.52) | CYP1A2CYP2C9CYP2C19SLC2A1SLC2A2 | |
| SCHEMBL29086088 | 0.95 | SLC2A1 (0.52) | CYP1A2CYP2C9CYP2C19SLC2A1SLC2A2 | |
| SCHEMBL10819371 | 0.85 | DRD2 (0.56) | CYP1A2CYP2C19SLC2A1SLC2A2SLC2A3 | |
| SCHEMBL1515456 | 0.85 | SLC2A1 (0.50) | SLC2A1SLC2A2SLC2A3DRD2DRD4 | |
| SCHEMBL13030063 | 0.85 | SLC2A1 (0.48) | CYP1A2CYP2C9CYP2C19SLC2A1SLC2A2 | |
| SCHEMBL12986602 | 0.85 | HTR3A (0.51) | CYP2C19SLC2A1SLC2A2SLC2A3DRD2 | |
| Hydrochloric Acid SCHEMBL1063578 | 0.84 | LMNA (0.52) | CYP2C19SLC2A1SLC2A2SLC2A3DRD2 | |
| SCHEMBL14349473 | 0.83 | TRPM8 (0.56) | CYP1A2CYP2C9CYP2C19SLC2A1SLC2A2 | |
| SCHEMBL1026306 | 0.83 | CYP2C19 (0.57) | CYP1A2CYP2C19SLC2A1SLC2A2SLC2A3 | |
| SCHEMBL30455146 | 0.83 | TRPM8 (0.56) | CYP1A2CYP2C9CYP2C19SLC2A1SLC2A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101842357-A | Substituted pyrazole derivatives | TAKEDA PHARMACEUTICAL | 2010-09-22 | — | — | CN | disclosed |