Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | GLA | P06280 | 2/20 | 0.51 |
| ▸ | GBA1 | P04062 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.45 |
| ▸ | MEN1 | O00255 | 4/20 | 0.45 |
| ▸ | CDK4 | P11802 | 1/20 | 0.44 |
| ▸ | CCND1 | P24385 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 3/20 | 0.43 |
| ▸ | CCNT1 | O60563 | 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 | |
|---|---|---|---|---|
| SCHEMBL2235936 | 0.90 | GBA1 (0.52) | ALDH1A1GLAGBA1KMT2AMEN1 | |
| SCHEMBL2240377 | 0.89 | GBA1 (0.47) | ALDH1A1GLAGBA1KMT2AMEN1 | |
| SCHEMBL11968310 | 0.89 | GBA1 (0.49) | ALDH1A1GLAGBA1KMT2AMEN1 | |
| SCHEMBL3962080 | 0.88 | CDK4 (0.58) | ALDH1A1GBA1KMT2AMEN1CDK4 | |
| SCHEMBL3727648 | 0.88 | ALDH1A1 (0.48) | ALDH1A1GLAGBA1KMT2AMEN1 | |
| SCHEMBL2239320 | 0.87 | KMT2A (0.47) | ALDH1A1GBA1KMT2AMEN1CDK4 | |
| SCHEMBL2235885 | 0.87 | KMT2A (0.47) | ALDH1A1GBA1KMT2AMEN1CDK4 | |
| SCHEMBL2237736 | 0.83 | CDK4 (0.46) | ALDH1A1GLAGBA1KMT2AMEN1 | |
| SCHEMBL2237738 | 0.83 | GBA1 (0.63) | ALDH1A1GLAGBA1KMT2AMEN1 | |
| SCHEMBL4793373 | 0.82 | ALDH1A1 (0.44) | ALDH1A1GLAGBA1KMT2AMEN1 |
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 |