Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 10/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 10/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 10/20 | 0.51 |
| ▸ | CLK4 | Q9HAZ1 | 10/20 | 0.51 |
| ▸ | USP2 | O75604 | 8/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 5/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | TSHR | P16473 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.45 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.45 |
| ▸ | PTGDR | Q13258 | 4/20 | 0.45 |
| ▸ | GBA1 | P04062 | 1/20 | 0.43 |
| ▸ | CDK4 | P11802 | 1/20 | 0.43 |
| ▸ | CCND1 | P24385 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2239349 | 0.89 | CDK4 (0.47) | CYP1A2CYP3A4CYP2D6CYP2C19CLK4 | |
| SCHEMBL2241872 | 0.88 | CDK4 (0.50) | CYP1A2CYP3A4CYP2D6CYP2C19CLK4 | |
| SCHEMBL2239531 | 0.87 | CDK4 (0.45) | CYP1A2CYP3A4CYP2D6CYP2C19CLK4 | |
| SCHEMBL3962080 | 0.84 | CDK4 (0.58) | CYP1A2CYP3A4CYP2D6CYP2C19CLK4 | |
| SCHEMBL2237989 | 0.84 | CYP1A2 (0.63) | CYP1A2CYP3A4CYP2D6CYP2C19CLK4 | |
| SCHEMBL2241071 | 0.81 | CYP3A4 (0.57) | CYP1A2CYP3A4CYP2D6CYP2C19CLK4 | |
| SCHEMBL2237840 | 0.81 | CYP1A2 (0.49) | CYP1A2CYP3A4CYP2D6CYP2C19CLK4 | |
| SCHEMBL2245206 | 0.81 | CYP1A2 (0.55) | CYP1A2CYP3A4CYP2D6CYP2C19CLK4 | |
| SCHEMBL2241055 | 0.81 | CYP3A4 (0.51) | CYP1A2CYP3A4CYP2D6CYP2C19CLK4 | |
| SCHEMBL2238664 | 0.79 | CYP3A4 (0.47) | CYP1A2CYP3A4CYP2D6CYP2C19CLK4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1878733-A1 | Pyrimidine derivatives as ALK-5 inhibitors | Novartis AG (CH) | 2008-01-16 | — | — | EP | disclosed |