Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNP | P00491 | 5/20 | 0.41 |
| ▸ | MPO | P05164 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.32 |
| ▸ | GHSR | Q92847 | 1/20 | 0.32 |
| ▸ | PIM1 | P11309 | 2/20 | 0.32 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.32 |
| ▸ | DYRK2 | Q92630 | 2/20 | 0.32 |
| ▸ | DYRK1B | Q9Y463 | 2/20 | 0.32 |
| ▸ | CLK1 | P49759 | 1/20 | 0.32 |
| ▸ | CDK9 | P50750 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.32 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.31 |
| ▸ | PABPC1 | P11940 | 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 | |
|---|---|---|---|---|
| SCHEMBL6946585 | 0.80 | MPO (0.40) | PNPMPOADORA2ACDK1 | |
| SCHEMBL6945083 | 0.79 | PIN1 (0.44) | MPOTLR7 | |
| SCHEMBL6944455 | 0.76 | HRH4 (0.44) | PNPMPO | |
| SCHEMBL6941905 | 0.76 | ALDH1A1 (0.50) | MPOTLR7 | |
| SCHEMBL6947940 | 0.75 | PIN1 (0.48) | MPOTLR7ADORA2AADORA1 | |
| SCHEMBL6939911 | 0.75 | DHFR (0.47) | MPOTAAR1ADORA3ADORA2AADORA1 | |
| SCHEMBL6950768 | 0.74 | CYP17A1 (0.39) | MPOADORA3ADORA2AADORA2BADORA1 | |
| Ammonia Solution, Strong SCHEMBL17009431 | 0.73 | KDM4A (0.41) | PNPMPOADORA3ADORA2AADORA2B | |
| SCHEMBL12844134 | 0.72 | HEXA (0.37) | CDK1 | |
| SCHEMBL6944400 | 0.72 | HRH3 (0.42) | PNPMPOTAAR1ADORA2AADORA1 |
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 |