Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.41 |
| ▸ | CDK4 | P11802 | 6/20 | 0.41 |
| ▸ | CCND1 | P24385 | 6/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 2/20 | 0.38 |
| ▸ | HTR1A | P08908 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | GBA1 | P04062 | 1/20 | 0.37 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | NEK4 | P51957 | 1/20 | 0.36 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.36 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4771700 | 0.82 | ALDH1A1 (0.51) | ALDH1A1GLACDK4CCND1CDK2 | |
| SCHEMBL3727648 | 0.73 | ALDH1A1 (0.48) | ALDH1A1GLACDK4CCND1CDK2 | |
| SCHEMBL2235936 | 0.72 | GBA1 (0.52) | ALDH1A1GLACDK4CCND1CDK2 | |
| SCHEMBL2240377 | 0.71 | GBA1 (0.47) | ALDH1A1GLACDK4CCND1CDK2 | |
| SCHEMBL3714461 | 0.70 | CDK4 (0.52) | ALDH1A1GPR84CDK4CCND1CDK2 | |
| SCHEMBL11968310 | 0.70 | GBA1 (0.49) | ALDH1A1GLAGPR84CDK4CCND1 | |
| SCHEMBL3962080 | 0.70 | CDK4 (0.58) | ALDH1A1CDK4CCND1CDK2GBA1 | |
| SCHEMBL2235885 | 0.70 | KMT2A (0.47) | ALDH1A1CDK4CCND1CDK2GBA1 | |
| SCHEMBL2239320 | 0.70 | KMT2A (0.47) | ALDH1A1CDK4CCND1CDK2GBA1 | |
| SCHEMBL2240341 | 0.67 | CDK4 (0.50) | ALDH1A1GPR84CDK4CCND1CDK2 |
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 |