Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 1/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.34 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11873682 | 0.97 | AOC3 (0.40) | AOC3CYP17A1ALDH1A1CYP11B1CYP11B2 | |
| SCHEMBL11872296 | 0.82 | SLC6A2 (0.46) | ALDH1A1 | |
| SCHEMBL11870777 | 0.82 | ALDH1A1 (0.39) | AOC3CYP17A1ALDH1A1CYP1A2CYP2A6 | |
| SCHEMBL11874066 | 0.81 | CYP17A1 (0.44) | AOC3CYP17A1ALDH1A1CYP1A2PTGS1 | |
| SCHEMBL11872126 | 0.80 | BCL2 (0.36) | ALDH1A1CYP11B1CYP11B2CYP2A6 | |
| SCHEMBL10386422 | 0.73 | NQO1 (0.45) | AOC3CYP17A1CYP1A2CYP2A6PTGS1 | |
| SCHEMBL9420901 | 0.70 | CYP1A2 (0.52) | AOC3CYP17A1CYP11B1CYP11B2CYP1A2 | |
| SCHEMBL10349809 | 0.69 | ALDH1A1 (0.51) | AOC3ALDH1A1 | |
| SCHEMBL11878159 | 0.69 | AOC3 (0.39) | AOC3CYP17A1ALDH1A1CYP1A2CYP2A6 | |
| SCHEMBL10350134 | 0.68 | CYP17A1 (0.46) | AOC3CYP17A1ALDH1A1CYP1A2PTGS1 |
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-3969415-A | ANTIINFLAMMATORY | SANDOZ, INC. (US) | 1976-07-13 | — | — | US | disclosed |