Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASR | P41180 | 8/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.46 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.41 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL15864390 | 0.82 | CCNC (0.58) | CYP11B1CYP11B2KDRROCK2ROCK1 | |
| SCHEMBL15864387 | 0.82 | CCNC (0.58) | CYP11B1CYP11B2KDRROCK2ROCK1 | |
| SCHEMBL18114399 | 0.81 | CASR (0.60) | CASR | |
| SCHEMBL16463600 | 0.80 | CASR (0.70) | CASR | |
| SCHEMBL12493466 | 0.74 | TDP1 (0.58) | CASRALDH1A1 | |
| SCHEMBL22445577 | 0.74 | TDP1 (0.58) | CASRALDH1A1 | |
| SCHEMBL30646820 | 0.73 | CYP11B1 (0.74) | CYP11B1CYP11B2KDR | |
| SCHEMBL29087788 | 0.73 | CYP11B1 (0.74) | CYP11B1CYP11B2KDR | |
| SCHEMBL3925446 | 0.73 | CASR (0.77) | CASRSMN1; SMN2 | |
| SCHEMBL15864479 | 0.72 | CYP11B1 (0.43) | CYP11B1CYP11B2CYP1A2CYP3A4CYP2D6 |
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-2014106606-A1 | NOVE PHENYL/PYRIDINE SERIES SUBSTITUED BY HYDROXYETHYLAMINO FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2014-07-10 | — | — | WO | claimed |