Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7520071 | 0.80 | ALDH1A1 (0.48) | HPGD | |
| SCHEMBL17551661 | 0.78 | CNR1 (0.35) | — | |
| SCHEMBL7525486 | 0.77 | RAB9A (0.40) | CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7524859 | 0.77 | EPHX1 (0.40) | CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7519666 | 0.77 | HSD17B10 (0.36) | CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL7533775 | 0.76 | ALDH1A1 (0.39) | CYP1A2CYP2C9CYP2C19HPGD | |
| SCHEMBL7524740 | 0.76 | TYMP (0.37) | CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7537395 | 0.75 | HPGD (0.40) | CYP1A2CYP2C9CYP2C19HPGD | |
| SCHEMBL7518579 | 0.74 | CASP2 (0.43) | HPGD | |
| SCHEMBL7522160 | 0.74 | HPGD (0.56) | HPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-2335701-A1 | Heterocyclic aspartyl protease inhibitors | Schering Corporation (US) | 2011-06-22 | — | — | EP | disclosed |