Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.44 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.44 |
| ▸ | CYP2C8 | P10632 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | HCAR3 | P49019 | 2/20 | 0.43 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | AGTR1 | P30556 | 3/20 | 0.40 |
| ▸ | AGTR2 | P50052 | 3/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7252895 | 0.88 | ADH5 (0.46) | CYP2A6CYP2C9CYP2C19CYP2E1CYP2C8 | |
| SCHEMBL21983536 | 0.80 | ALDH1A1 (0.61) | HCAR3HCAR2MEN1ALDH1A1KMT2A | |
| SCHEMBL7252306 | 0.76 | GAA (0.61) | CYP2A6HCAR2MEN1ALDH1A1KMT2A | |
| SCHEMBL7257787 | 0.72 | CYP2A6 (0.46) | CYP2A6HCAR2MEN1ALDH1A1KMT2A | |
| SCHEMBL25186679 | 0.69 | CYP1A2 (0.49) | CYP2A6CYP2C9CYP2C19CYP2E1CYP2C8 | |
| SCHEMBL7256150 | 0.69 | CYP2A6 (0.58) | CYP2A6MEN1ALDH1A1KMT2AL3MBTL1 | |
| SCHEMBL10954433 | 0.68 | CYP2E1 (0.51) | CYP2A6CYP2C9CYP2C19CYP2E1CYP2C8 | |
| SCHEMBL7261885 | 0.68 | CYP2D6 (0.45) | CYP2A6CYP2C9CYP2C19CYP2E1CYP2C8 | |
| SCHEMBL7257782 | 0.68 | CYP2A6 (0.49) | CYP2A6HCAR3HCAR2MEN1ALDH1A1 | |
| SCHEMBL13806625 | 0.66 | ALDH1A1 (0.66) | MEN1ALDH1A1KMT2AL3MBTL1GAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003027095-A1 | SUBSTITUTED 3-PYRIDYL TETRAZOLES AS STEROID C17,20 LYASE INHIBITORS | BAYER PHARMACEUTICALS CORPORATION (US) | 2003-04-03 | — | — | WO | disclosed |