Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FAP | Q12884 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.31 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.30 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.30 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.30 |
| ▸ | ADORA1 | P30542 | 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 | |
|---|---|---|---|---|
| SCHEMBL8934197 | 1.00 | FAP (0.32) | FAPCYP3A4HSP90AA1HSP90AB1HPRT1 | |
| SCHEMBL9177023 | 0.79 | CYP3A4 (0.49) | FAPCYP3A4HSP90AA1HSP90AB1 | |
| SCHEMBL9176435 | 0.79 | CYP3A4 (0.49) | FAPCYP3A4HSP90AA1HSP90AB1 | |
| SCHEMBL7263249 | 0.79 | CYP3A4 (0.49) | FAPCYP3A4HSP90AA1HSP90AB1 | |
| SCHEMBL7262539 | 0.78 | CYP3A4 (0.50) | FAPCYP3A4 | |
| SCHEMBL8934000 | 0.76 | FAP (0.32) | FAPCYP3A4ADORA2AADORA1 | |
| SCHEMBL8934002 | 0.76 | FAP (0.32) | FAPCYP3A4ADORA2AADORA1 | |
| SCHEMBL6896277 | 0.76 | CYP3A4 (0.47) | CYP3A4HPRT1ADORA3ADORA2AADORA2B | |
| SCHEMBL8934206 | 0.75 | PNP (0.32) | ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL8934194 | 0.75 | PNP (0.32) | ADORA3ADORA2AADORA2BADORA1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1996009307-A1 | PURINE AND 8-AZAPURINE DERIVATIVES SUITABLE TO THE THERAPEUTIC TREATMENT OF AIDS | ISTITUTO SUPERIORE DI SANITA' (IT) | 1996-03-28 | — | — | WO | disclosed |