Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 3/20 | 0.59 |
| ▸ | CTSL | P07711 | 2/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 11/20 | 0.55 |
| ▸ | ADORA2A | P29274 | 7/20 | 0.55 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.55 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.55 |
| ▸ | HTR2C | P28335 | 1/20 | 0.55 |
| ▸ | HTR2B | P41595 | 1/20 | 0.55 |
| ▸ | HTR3A | P46098 | 1/20 | 0.55 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.55 |
| ▸ | PPARD | Q03181 | 1/20 | 0.54 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL5197924 | 0.89 | CDK1 (0.60) | CDK1CTSLADORA3ADORA1YTHDC1 | |
| SCHEMBL5627099 | 0.88 | ADORA3 (0.57) | CDK1CTSLADORA3ADORA2AADORA1 | |
| SCHEMBL6817805 | 0.86 | ADORA3 (0.68) | CDK1CTSLADORA3ADORA2AADORA1 | |
| SCHEMBL5193141 | 0.86 | CDK1 (0.78) | CDK1CTSLADORA3ADORA2AADORA1 | |
| SCHEMBL6818091 | 0.85 | CTSL (0.75) | CDK1CTSLADORA3ADORA2AADORA1 | |
| SCHEMBL27501567 | 0.85 | ADORA3 (0.69) | CDK1ADORA3ADORA2AADORA1PPARD | |
| SCHEMBL5194104 | 0.84 | NPC1 (0.58) | ADORA3YTHDC1CDK5 | |
| SCHEMBL5196126 | 0.83 | CDK2 (0.78) | CDK1CDK5 | |
| SCHEMBL5196111 | 0.83 | CDK2 (0.78) | CDK1CDK5 | |
| SCHEMBL21704645 | 0.83 | ADORA2A (0.80) | ADORA3ADORA2AADORA1PPARD |
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 |
|---|---|---|---|---|---|---|---|
| EP-1183256-B1 | PURINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | AVENTIS PHARMA SA (FR) | 2007-08-22 | — | — | EP | disclosed |
| EP-1183256-A1 | PURINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | Aventis Pharma S.A. (FR) | 2002-03-06 | — | — | EP | disclosed |
| WO-2000071543-A1 | PURINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | AVENTIS PHARMA S.A. (FR) | 2000-11-30 | — | — | WO | disclosed |