Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 1/20 | 0.49 |
| ▸ | CCND1 | P24385 | 1/20 | 0.49 |
| ▸ | AKT1 | P31749 | 4/20 | 0.46 |
| ▸ | HPGDS | O60760 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.43 |
| ▸ | ITGB2 | P05107 | 2/20 | 0.43 |
| ▸ | ICAM1 | P05362 | 2/20 | 0.43 |
| ▸ | ITGAL | P20701 | 2/20 | 0.43 |
| ▸ | MC5R | P33032 | 2/20 | 0.42 |
| ▸ | MC1R | Q01726 | 2/20 | 0.42 |
| ▸ | ECE1 | P42892 | 1/20 | 0.42 |
| ▸ | SYK | P43405 | 1/20 | 0.42 |
| ▸ | SSTR1 | P30872 | 1/20 | 0.42 |
| ▸ | SSTR2 | P30874 | 1/20 | 0.42 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.42 |
| ▸ | SSTR3 | P32745 | 1/20 | 0.42 |
| ▸ | SSTR5 | P35346 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4768727 | 0.90 | TDP1 (0.51) | CDK4CCND1AKT1KMT2AMEN1 | |
| SCHEMBL4766503 | 0.87 | CDK4 (0.47) | CDK4CCND1AKT1KMT2AMEN1 | |
| SCHEMBL4773620 | 0.87 | CDK4 (0.47) | CDK4CCND1AKT1KMT2AMEN1 | |
| SCHEMBL4766487 | 0.87 | CDK4 (0.47) | CDK4CCND1AKT1KMT2AMEN1 | |
| SCHEMBL4775038 | 0.87 | CDK4 (0.47) | CDK4CCND1AKT1KMT2AMEN1 | |
| SCHEMBL4776165 | 0.82 | CCKBR (0.52) | CDK4CCND1KMT2AMEN1HTT | |
| SCHEMBL2240341 | 0.82 | CDK4 (0.50) | CDK4CCND1AKT1KMT2AMEN1 | |
| SCHEMBL4766345 | 0.82 | CYP2A6 (0.46) | KMT2ASCN9ASYKSMN1; SMN2 | |
| SCHEMBL4766379 | 0.82 | CYP2A6 (0.46) | KMT2ASCN9ASYKSMN1; SMN2 | |
| SCHEMBL4769102 | 0.81 | KMT2A (0.55) | CDK4CCND1KMT2AMEN1SYK |
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 |