Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | GRM5 | P41594 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10693338 | 0.81 | TSHR (0.45) | CYP2A6CYP1A2GRM5ALDH1A1 | |
| SCHEMBL8404365 | 0.76 | CYP1A2 (0.48) | CYP2A6CYP1A2GRM5ALDH1A1CYP17A1 | |
| SCHEMBL10693028 | 0.74 | GPR35 (0.30) | GPR35 | |
| SCHEMBL10692400 | 0.72 | CYP1A2 (0.44) | GPR35CYP2A6CYP1A2ALDH1A1CYP17A1 | |
| SCHEMBL19099777 | 0.71 | CYP1A2 (0.42) | CYP2A6CYP1A2ALDH1A1CYP17A1 | |
| SCHEMBL10691719 | 0.71 | CYP2A6 (0.42) | CYP2A6CYP1A2ALDH1A1CYP17A1 | |
| SCHEMBL10690295 | 0.71 | CYP1A2 (0.42) | CYP2A6CYP1A2GRM5ALDH1A1CYP17A1 | |
| SCHEMBL10692786 | 0.70 | CYP2A6 (0.56) | CYP2A6CYP1A2ALDH1A1 | |
| SCHEMBL5831137 | 0.68 | CYP2A6 (0.45) | CYP2A6ALDH1A1 | |
| SCHEMBL10692886 | 0.68 | PTGS1 (0.38) | CYP2A6CYP1A2 |
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-4737516-A | FUNGICIDES | SANDOZ LTD. (CH) | 1988-04-12 | — | — | US | disclosed |