Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 1/20 | 0.43 |
| ▸ | CCND1 | P24385 | 1/20 | 0.43 |
| ▸ | GBA1 | P04062 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.41 |
| ▸ | USP2 | O75604 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | PTGDR | Q13258 | 4/20 | 0.37 |
| ▸ | PIM1 | P11309 | 3/20 | 0.37 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.37 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2241460 | 0.95 | CDK4 (0.47) | CDK4CCND1GBA1CYP3A4CYP1A2 | |
| SCHEMBL2240050 | 0.86 | CYP3A4 (0.46) | CDK4CCND1GBA1CYP3A4CYP1A2 | |
| SCHEMBL3962080 | 0.84 | CDK4 (0.58) | CDK4CCND1GBA1CYP3A4CYP1A2 | |
| SCHEMBL2240699 | 0.84 | CYP3A4 (0.44) | CDK4CCND1GBA1CYP3A4CYP1A2 | |
| SCHEMBL3718274 | 0.83 | CDK4 (0.45) | CDK4CCND1GBA1CYP3A4CYP1A2 | |
| SCHEMBL2239858 | 0.81 | HPGD (0.57) | CDK4CCND1GBA1CYP3A4CYP1A2 | |
| SCHEMBL2239769 | 0.81 | CYP1A2 (0.49) | CDK4CCND1GBA1CYP3A4CYP1A2 | |
| SCHEMBL2237295 | 0.80 | CYP2A6 (0.45) | CDK4CCND1GBA1CYP3A4CYP1A2 | |
| SCHEMBL2240988 | 0.79 | CDK4 (0.49) | CDK4CCND1GBA1CYP3A4CYP1A2 | |
| SCHEMBL2238638 | 0.78 | PTGDR (0.47) | CYP3A4CYP1A2CYP2D6CYP2C19CLK4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2044056-A1 | PYRIMIDINE DERIVATIVES AS ALK-5 INHIBITORS | Novartis Ag (CH) | 2009-04-08 | — | — | EP | disclosed |
| WO-2008006583-A1 | PYRIMIDINE DERIVATIVES AS ALK-5 INHIBITORS | NOVARTIS AG (CH) | 2008-01-17 | — | — | WO | disclosed |