Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.42 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.42 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | LDHA | P00338 | 1/20 | 0.39 |
| ▸ | ADH5 | P11766 | 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 | |
|---|---|---|---|---|
| SCHEMBL7253188 | 0.94 | CYP2A6 (0.46) | CYP2A6MEN1ALDH1A1KMT2AL3MBTL1 | |
| SCHEMBL7252306 | 0.73 | GAA (0.61) | CYP2A6MEN1ALDH1A1KMT2AL3MBTL1 | |
| SCHEMBL7252895 | 0.70 | ADH5 (0.46) | CYP2A6MEN1ALDH1A1KMT2AL3MBTL1 | |
| SCHEMBL7257787 | 0.70 | CYP2A6 (0.46) | CYP2A6MEN1ALDH1A1KMT2AL3MBTL1 | |
| SCHEMBL7256150 | 0.70 | CYP2A6 (0.58) | CYP2A6MEN1ALDH1A1KMT2AL3MBTL1 | |
| SCHEMBL30786313 | 0.70 | ALDH1A1 (0.54) | MEN1ALDH1A1KMT2AL3MBTL1HCAR2 | |
| SCHEMBL7257791 | 0.68 | CYP2A6 (0.44) | CYP2A6MEN1ALDH1A1KMT2AL3MBTL1 | |
| SCHEMBL29394988 | 0.66 | CYP2A6 (1.00) | CYP2A6ALDH1A1PPARAIDO1ADH5 | |
| SCHEMBL2485944 | 0.66 | CYP2A6 (1.00) | CYP2A6ALDH1A1PPARAIDO1ADH5 | |
| Ammonia Solution, Strong SCHEMBL1733225 | 0.65 | CYP2A6 (0.96) | CYP2A6ALDH1A1PPARAIDO1ADH5 |
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 |