Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 6/20 | 0.49 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.49 |
| ▸ | ROCK2 | O75116 | 5/20 | 0.45 |
| ▸ | PDE5A | O76074 | 4/20 | 0.44 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.43 |
| ▸ | GBA1 | P04062 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3354572 | 0.90 | MEN1 (0.51) | ABCG2ABCB1ROCK2PDE5ANPY5R | |
| SCHEMBL3358461 | 0.89 | ROCK2 (0.43) | ABCG2ABCB1ROCK2PDE5ANPY5R | |
| SCHEMBL3359330 | 0.86 | ROCK2 (0.43) | ABCG2ABCB1ROCK2MEN1KMT2A | |
| SCHEMBL3387897 | 0.83 | ROCK2 (0.46) | ABCG2ROCK2PDE5AKDM4EMAPT | |
| SCHEMBL3388455 | 0.83 | ROCK2 (0.47) | ROCK2 | |
| SCHEMBL3384565 | 0.73 | ROCK2 (0.62) | ROCK2MEN1KMT2AUSP2LMNA | |
| SCHEMBL3387854 | 0.72 | ROCK2 (0.60) | ROCK2MEN1KMT2AUSP2LMNA | |
| SCHEMBL13362623 | 0.72 | ROCK2 (0.42) | ROCK2PDE5AMEN1KMT2AUSP2 | |
| SCHEMBL16404477 | 0.71 | PDE5A (0.66) | ABCG2ABCB1PDE5ANPY5RGBA1 | |
| SCHEMBL3356239 | 0.70 | ROCK2 (0.56) | ROCK2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010056758-A1 | QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS | FENG YANGBO (US) | 2010-05-20 | — | — | WO | disclosed |
| WO-2010056758-A1 | QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS | FENG YANGBO (US) | 2010-05-20 | — | — | WO | disclosed |