Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 7/20 | 0.43 |
| ▸ | CDK2 | P24941 | 6/20 | 0.43 |
| ▸ | CCNB1 | P14635 | 5/20 | 0.43 |
| ▸ | CCNE1 | P24864 | 5/20 | 0.43 |
| ▸ | HEXA | P06865 | 2/20 | 0.34 |
| ▸ | HEXB | P07686 | 2/20 | 0.34 |
| ▸ | SLC29A1 | Q99808 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 5/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 5/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | PRKACA | P17612 | 1/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24499765 | 0.80 | CDK1 (0.56) | CDK1CDK2CCNB1CCNE1HSP90AA1 | |
| SCHEMBL18521155 | 0.79 | CDK1 (0.41) | CDK1CDK2CCNB1CCNE1SLC29A1 | |
| SCHEMBL24021885 | 0.79 | CDK1 (0.53) | CDK1CDK2CCNB1CCNE1HEXA | |
| SCHEMBL24490546 | 0.78 | CDK1 (0.45) | CDK1CDK2CCNB1CCNE1HEXA | |
| SCHEMBL19863482 | 0.71 | NR1I2 (0.52) | CDK2CYP1A2CYP3A4CYP2D6ADORA3 | |
| SCHEMBL24239210 | 0.68 | CDK1 (0.53) | CDK1CDK2CCNB1CCNE1HSP90AA1 | |
| SCHEMBL22700151 | 0.68 | CDK1 (0.63) | CDK1HSP90AA1ADORA3ADORA1 | |
| SCHEMBL25819439 | 0.68 | CDK1 (0.39) | CDK1CDK2CCNB1CCNE1SLC29A1 | |
| SCHEMBL24236873 | 0.67 | ADORA2A (0.37) | CDK1CDK2CCNB1CCNE1ADORA1 | |
| SCHEMBL8826208 | 0.67 | CDK1 (0.41) | CDK1CDK2CCNB1CCNE1SLC29A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5663154-A | VIRICIDES, HIV, HEPATITIS | GLAXO WELLCOME INC. (US) | 1997-09-02 | — | — | US | disclosed |
| EP-0625158-A1 | THERAPEUTIC NUCLEOSIDES | THE WELLCOME FOUNDATION LIMITED (GB) | 1994-11-23 | — | — | EP | disclosed |
| WO-1993014103-A1 | THERAPEUTIC NUCLEOSIDES | THE WELLCOME FOUNDATION LIMITED (GB) | 1993-07-22 | — | — | WO | disclosed |