Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 11/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 9/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.54 |
| ▸ | CLK4 | Q9HAZ1 | 6/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.54 |
| ▸ | USP2 | O75604 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.54 |
| ▸ | TSHR | P16473 | 4/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | AURKA | O14965 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL785479 | 0.89 | CYP1A2 (0.61) | CYP1A2CYP3A4HSD17B10CYP2D6CLK4 | |
| SCHEMBL801914 | 0.88 | FADS1 (0.49) | CYP1A2CYP3A4HSD17B10CYP2D6CLK4 | |
| SCHEMBL801510 | 0.87 | FADS1 (0.46) | CYP1A2CYP3A4HSD17B10CYP2D6CLK4 | |
| SCHEMBL10268959 | 0.87 | USP1 (0.47) | CYP1A2CYP3A4HSD17B10CYP2D6CLK4 | |
| SCHEMBL786490 | 0.87 | CYP1A2 (0.54) | CYP1A2CYP3A4HSD17B10CYP2D6CLK4 | |
| SCHEMBL1083862 | 0.86 | USP1 (0.48) | CYP1A2CYP3A4HSD17B10CYP2D6CLK4 | |
| SCHEMBL801544 | 0.86 | USP1 (0.52) | CYP1A2CYP3A4HSD17B10CYP2D6CLK4 | |
| SCHEMBL785611 | 0.85 | ABCG2 (0.60) | ALDH1A1LMNAKDM4EMAPTMEN1 | |
| SCHEMBL13107211 | 0.85 | USP1 (0.45) | CYP1A2CYP3A4HSD17B10CYP2D6CLK4 | |
| SCHEMBL786256 | 0.85 | USP1 (0.64) | CYP1A2CYP3A4HSD17B10CYP2D6CLK4 |
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-7473691-B2 | Pyrazole compounds useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-01-06 | — | — | US | disclosed |