Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.56 |
| ▸ | USP2 | O75604 | 5/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.56 |
| ▸ | CLK4 | Q9HAZ1 | 5/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.56 |
| ▸ | CDK4 | P11802 | 2/20 | 0.54 |
| ▸ | CCND1 | P24385 | 2/20 | 0.54 |
| ▸ | GBA1 | P04062 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 5/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4771731 | 0.90 | GBA1 (0.54) | CYP3A4USP2CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL3962080 | 0.89 | CDK4 (0.58) | CYP3A4USP2CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL2241055 | 0.87 | CYP3A4 (0.51) | CYP3A4USP2CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL2241071 | 0.87 | CYP3A4 (0.57) | CYP3A4USP2CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL2240068 | 0.87 | CDK4 (0.55) | CYP3A4USP2CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL2241708 | 0.86 | GBA1 (0.57) | CYP3A4USP2CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL2237738 | 0.84 | GBA1 (0.63) | CYP3A4USP2CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL2240377 | 0.83 | GBA1 (0.47) | CYP3A4USP2CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL3715061 | 0.82 | GBA1 (0.55) | CYP3A4USP2CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL2238361 | 0.82 | PTGDR (0.49) | CYP3A4USP2CYP1A2CYP2D6CYP2C19 |
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 |