Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 1/20 | 0.47 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.40 |
| ▸ | TDO2 | P48775 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | GSK3B | P49841 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.36 |
| ▸ | GCGR | P47871 | 1/20 | 0.36 |
| ▸ | CEL | P19835 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL13735438 | 0.98 | CYP11B2 (0.44) | CYP11B2OPRL1TDO2MAPTGSK3B | |
| SCHEMBL526318 | 0.90 | OPRL1 (0.37) | CYP11B2OPRL1CYP17A1 | |
| SCHEMBL28509018 | 0.85 | OPRL1 (0.35) | OPRL1CYP17A1 | |
| SCHEMBL17282368 | 0.77 | CYP11B2 (0.47) | CYP11B2OPRL1TDO2MAPTGSK3B | |
| SCHEMBL29079894 | 0.74 | CHRNB2 (0.36) | CYP11B2OPRL1CYP17A1 | |
| SCHEMBL21757521 | 0.73 | OPRL1 (0.48) | CYP11B2OPRL1TDO2CYP2C19ALDH1A1 | |
| SCHEMBL21757505 | 0.73 | OPRL1 (0.48) | CYP11B2OPRL1TDO2CYP2C19ALDH1A1 | |
| SCHEMBL7253990 | 0.73 | CYP11B2 (0.37) | CYP11B2OPRL1MAPTGSK3BCYP2C19 | |
| SCHEMBL743476 | 0.72 | RPS6KA3 (0.33) | OPRL1 | |
| Hydrochloric Acid SCHEMBL7276642 | 0.72 | KDM4C (0.50) | CYP11B2MAPTGSK3BALDH1A1HTT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2003027101-A1 | SUBSTITUTED 3-PYRIDYL PYRROLES AND 3-PYRIDYL PYRAZOLES AS C17,20 LYASE INHIBITORS | BAYER PHARMACEUTICALS CORPORATION (US) | 2003-04-03 | — | — | WO | disclosed |
| WO-2003027105-A1 | SUBSTITUTED 3-PYRIDYL THIOPHENES AS C17,20 LYASE INHIBITORS | BAYER PHARMACEUTICALS CORPORATION (US) | 2003-04-03 | — | — | WO | disclosed |