Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.30 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.30 |
| ▸ | HSP90AA1 | P07900 | 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 | |
|---|---|---|---|---|
| SCHEMBL15391120 | 0.74 | HSP90AA1 (0.36) | CYP2A6ADORA2AADORA1HSP90AA1 | |
| SCHEMBL22323360 | 0.69 | SPR (0.36) | CYP2A6ADORA2AADORA1HSP90AA1 | |
| SCHEMBL368657 | 0.69 | CYP2A6 (0.42) | CYP2A6ADORA2AADORA1HSP90AA1 | |
| SCHEMBL29377266 | 0.69 | AXL (0.48) | CYP2A6ADORA2AADORA1HSP90AA1 | |
| SCHEMBL660369 | 0.69 | AXL (0.48) | CYP2A6ADORA2AADORA1HSP90AA1 | |
| SCHEMBL6455853 | 0.69 | HSP90AA1 (0.44) | CYP2A6ADORA2AADORA1HSP90AA1 | |
| SCHEMBL32691515 | 0.69 | SPR (0.36) | CYP2A6ADORA2AADORA1HSP90AA1 | |
| SCHEMBL29957043 | 0.69 | HTR2C (0.41) | — | |
| SCHEMBL287634 | 0.68 | KDM4E (0.42) | CYP2A6ADORA2AADORA1 | |
| SCHEMBL369046 | 0.67 | BRAF (0.38) | CYP2A6ADORA2AADORA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |