Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 5/20 | 0.36 |
| ▸ | CDK1 | P06493 | 4/20 | 0.36 |
| ▸ | CCNB1 | P14635 | 4/20 | 0.36 |
| ▸ | CCNA2 | P20248 | 4/20 | 0.36 |
| ▸ | CCNA1 | P78396 | 4/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.36 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.36 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.36 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.35 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.35 |
| ▸ | CLK1 | P49759 | 1/20 | 0.35 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.35 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.35 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.35 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.35 |
| ▸ | CHUK | O15111 | 1/20 | 0.34 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5554962 | 0.86 | CDK1 (0.49) | CDK2CDK1CCNB1CCNA2CCNA1 | |
| SCHEMBL2938700 | 0.79 | GHSR (0.35) | CDK2CDK1CCNB1CCNA2CCNA1 | |
| SCHEMBL25049931 | 0.79 | CDK2 (0.46) | CDK2CDK1CCNB1CCNA2CCNA1 | |
| SCHEMBL12844134 | 0.77 | HEXA (0.37) | DHFRCDK2CDK1CCNB1CCNA2 | |
| SCHEMBL8826249 | 0.76 | CDK2 (0.56) | CDK2CDK1CCNB1CCNA2CCNA1 | |
| SCHEMBL8563169 | 0.76 | CHUK (0.52) | CDK2CDK1CCNB1CCNA2CCNA1 | |
| SCHEMBL9683225 | 0.75 | CDK2 (0.55) | CDK2CDK1CCNB1CCNA2CCNA1 | |
| SCHEMBL17485430 | 0.73 | KDM4A (0.43) | CDK2CDK1CCNB1CCNA2CCNA1 | |
| SCHEMBL5561179 | 0.73 | ADORA2A (0.33) | — | |
| SCHEMBL9680662 | 0.72 | DHFR (0.38) | DHFRCDK2CDK1CCNB1CCNA2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5153318-A | Viricides for hepatitis and human t-cell leukemia/lymphoma viruses | BURROUGHS WELLCOME CO. (US) | 1992-10-06 | — | — | US | disclosed |
| EP-0421739-A1 | 3'-azido purine nucleoside | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-04-10 | — | — | EP | disclosed |