Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.58 |
| ▸ | HPGDS | O60760 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | GP6 | Q9HCN6 | 2/20 | 0.50 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | LDHA | P00338 | 1/20 | 0.47 |
| ▸ | CDC7 | O00311 | 1/20 | 0.47 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.47 |
| ▸ | PPARA | Q07869 | 1/20 | 0.47 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.46 |
| ▸ | AGTR2 | P50052 | 2/20 | 0.46 |
| ▸ | MAP3K8 | P41279 | 1/20 | 0.45 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8783081 | 0.83 | MEN1 (0.80) | HPGDSMEN1ALDH1A1KMT2AL3MBTL1 | |
| SCHEMBL30153550 | 0.83 | MEN1 (0.80) | HPGDSMEN1ALDH1A1KMT2AL3MBTL1 | |
| SCHEMBL21692174 | 0.76 | RPS6KA3 (0.59) | CYP2A6ALDH1A1RPS6KA3 | |
| SCHEMBL8716812 | 0.76 | RPS6KA3 (0.65) | CYP2A6ALDH1A1RPS6KA3 | |
| SCHEMBL7252306 | 0.75 | GAA (0.61) | CYP2A6HPGDSMEN1ALDH1A1KMT2A | |
| SCHEMBL5017 | 0.74 | HPGDS (0.78) | CYP2A6HPGDSMEN1ALDH1A1KMT2A | |
| SCHEMBL2485944 | 0.74 | CYP2A6 (1.00) | CYP2A6HPGDSALDH1A1GP6IDO1 | |
| SCHEMBL29394988 | 0.74 | CYP2A6 (1.00) | CYP2A6HPGDSALDH1A1GP6IDO1 | |
| Hydrochloric Acid SCHEMBL30810801 | 0.73 | HPGDS (0.75) | CYP2A6HPGDSMEN1ALDH1A1KMT2A | |
| SCHEMBL4983079 | 0.73 | HPGDS (0.75) | CYP2A6HPGDSMEN1ALDH1A1KMT2A |
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 |