Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL10689889 | 0.79 | CYP2A6 (0.50) | CYP2A6CYP1A2CYP17A1SMN1; SMN2ALDH1A1 | |
| SCHEMBL10687422 | 0.79 | CYP2A6 (0.42) | CYP2A6ALDH1A1HPGD | |
| SCHEMBL10692392 | 0.77 | CYP2A6 (0.38) | CYP2A6CYP1A2CYP17A1SMN1; SMN2ALDH1A1 | |
| SCHEMBL10686543 | 0.75 | CYP2A6 (0.35) | CYP2A6CYP1A2SMN1; SMN2ALDH1A1 | |
| SCHEMBL10693338 | 0.74 | TSHR (0.45) | CYP2A6CYP1A2ALDH1A1 | |
| SCHEMBL8404365 | 0.72 | CYP1A2 (0.48) | CYP2A6CYP1A2CYP17A1ALDH1A1HPGD | |
| SCHEMBL31452756 | 0.72 | CYP2A6 (0.60) | CYP2A6SMN1; SMN2ALDH1A1 | |
| SCHEMBL274426 | 0.72 | CYP2A6 (0.60) | CYP2A6SMN1; SMN2ALDH1A1 | |
| SCHEMBL3792645 | 0.69 | ESR1 (0.41) | CYP2A6CYP1A2SMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL10692400 | 0.69 | CYP1A2 (0.44) | CYP2A6CYP1A2CYP17A1ALDH1A1HPGD |
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 |