Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 7/20 | 0.42 |
| ▸ | CCNB1 | P14635 | 7/20 | 0.42 |
| ▸ | CCNA2 | P20248 | 7/20 | 0.42 |
| ▸ | CDK2 | P24941 | 7/20 | 0.42 |
| ▸ | CCNA1 | P78396 | 7/20 | 0.42 |
| ▸ | HRH4 | Q9H3N8 | 6/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.30 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.30 |
| ▸ | HRH2 | P25021 | 1/20 | 0.30 |
| ▸ | HRH1 | P35367 | 1/20 | 0.30 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12844134 | 0.79 | HEXA (0.37) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| SCHEMBL16146189 | 0.77 | CYP1A2 (0.42) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| SCHEMBL7527092 | 0.77 | CDK1 (0.31) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| SCHEMBL17485502 | 0.77 | CDK1 (0.33) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| SCHEMBL4455870 | 0.76 | CDK2 (0.62) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| SCHEMBL19839 | 0.76 | CDK1 (0.36) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| SCHEMBL17485430 | 0.75 | KDM4A (0.43) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| SCHEMBL6950876 | 0.75 | MPO (0.56) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| Hydrochloric Acid SCHEMBL5731125 | 0.74 | TLR7 (0.35) | — | |
| SCHEMBL17483530 | 0.73 | CDK1 (0.32) | CDK1CCNB1CCNA2CDK2CCNA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1349857-A1 | PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2003-10-08 | — | — | EP | disclosed |
| WO-2002055521-A1 | PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2002-07-18 | — | — | WO | disclosed |