Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 11/20 | 0.46 |
| ▸ | CDK1 | P06493 | 1/20 | 0.42 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.42 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.42 |
| ▸ | CDK2 | P24941 | 1/20 | 0.42 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MPO | P05164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL821881 | 0.82 | CDK1 (0.46) | DHFRCDK1CCNB1CCNA2CDK2 | |
| SCHEMBL6950876 | 0.82 | MPO (0.56) | DHFRCDK1CCNB1CCNA2CDK2 | |
| SCHEMBL6946759 | 0.80 | CYP2D6 (0.48) | DHFRCDK1CCNB1CCNA2CDK2 | |
| SCHEMBL6948069 | 0.80 | MPO (0.47) | DHFRCDK1CCNB1CCNA2CDK2 | |
| SCHEMBL12227593 | 0.79 | CDK1 (0.43) | DHFRCDK1CCNB1CCNA2CDK2 | |
| Hydrochloric Acid SCHEMBL5731125 | 0.75 | TLR7 (0.35) | DHFRL3MBTL1 | |
| SCHEMBL9681378 | 0.74 | TRPA1 (0.43) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| SCHEMBL10743106 | 0.73 | JAK2 (0.46) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| SCHEMBL7527092 | 0.72 | CDK1 (0.31) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| SCHEMBL6950562 | 0.71 | CDK1 (0.42) | 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 |