Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CAMKK2 | Q96RR4 | 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 | |
|---|---|---|---|---|
| SCHEMBL6744628 | 0.78 | KDM4E (0.43) | HSP90AA1 | |
| SCHEMBL30595872 | 0.66 | HSP90AA1 (0.52) | HSP90AA1CYP2D6 | |
| SCHEMBL2814353 | 0.66 | HSP90AA1 (0.52) | HSP90AA1CYP2D6 | |
| SCHEMBL6740748 | 0.65 | CYP2A6 (0.39) | — | |
| SCHEMBL6741707 | 0.65 | AR (0.42) | CYP2D6 | |
| SCHEMBL13910999 | 0.64 | HSP90AA1 (0.50) | HSP90AA1CYP2D6 | |
| SCHEMBL639798 | 0.63 | ALDH1A1 (0.32) | — | |
| SCHEMBL639799 | 0.63 | ALDH1A1 (0.32) | — | |
| SCHEMBL639800 | 0.63 | ALDH1A1 (0.32) | — | |
| SCHEMBL24252409 | 0.62 | CCNT1 (0.33) | CAMKK2 |
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-20040086983-A1 | Method for producing a heterocyclic compound and an aromatic carboxylic acid having one or more hydroxyl groups, and modified aromatic ring dioxygenase | MARINE BIOTHECHNOLOGY INSTITUTE., LTD. (JP) | 2004-05-06 | — | — | US | disclosed |