Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCKBR | P32239 | 1/20 | 0.52 |
| ▸ | CDK4 | P11802 | 1/20 | 0.52 |
| ▸ | CCND1 | P24385 | 1/20 | 0.52 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | STAT3 | P40763 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | EGFR | P00533 | 1/20 | 0.44 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4769102 | 0.91 | KMT2A (0.55) | CDK4CCND1KMT2AMEN1MAPT | |
| SCHEMBL2240341 | 0.87 | CDK4 (0.50) | CDK4CCND1KMT2AMEN1ALDH1A1 | |
| SCHEMBL3962080 | 0.83 | CDK4 (0.58) | CDK4CCND1KMT2AMEN1ALDH1A1 | |
| SCHEMBL4776020 | 0.82 | CDK4 (0.49) | CDK4CCND1KMT2AMEN1HTT | |
| SCHEMBL4773415 | 0.82 | ADORA2A (0.43) | KMT2AMAPTALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL4766487 | 0.81 | CDK4 (0.47) | CDK4CCND1KMT2AMEN1CDK2 | |
| SCHEMBL4766503 | 0.81 | CDK4 (0.47) | CDK4CCND1KMT2AMEN1CDK2 | |
| SCHEMBL4773620 | 0.81 | CDK4 (0.47) | CDK4CCND1KMT2AMEN1CDK2 | |
| SCHEMBL4768727 | 0.81 | TDP1 (0.51) | CDK4CCND1KMT2AMEN1MAPT | |
| SCHEMBL4775038 | 0.81 | CDK4 (0.47) | CDK4CCND1KMT2AMEN1ALDH1A1 |
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 |