Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.41 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | GGPS1 | O95749 | 1/20 | 0.34 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27709619 | 0.89 | CYP3A4 (0.42) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL27767998 | 0.84 | CYP3A4 (0.43) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL16992938 | 0.82 | PYCR1 (0.40) | CYP1A2CYP2D6CYP2C9CYP2C19PYCR1 | |
| SCHEMBL27852818 | 0.79 | RIPK1 (0.43) | LMNAMAPTPOLBALDH1A1KDM4E | |
| SCHEMBL27616495 | 0.79 | CYP3A4 (0.44) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL27472205 | 0.79 | LMNA (0.44) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL27890513 | 0.77 | HPGD (0.38) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL28944250 | 0.76 | CYP3A4 (0.38) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL27767987 | 0.75 | AAK1 (0.37) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL27484098 | 0.75 | CYP2C19 (0.68) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101171238-B | (3, 4-dihydro-quinazolin-2-yl) - (2-aryloxy-ethyl) amines active at the 5-HT receptor | HOFFMANN LA ROCHE | 2010-12-15 | — | — | CN | disclosed |
| CN-101171238-A | (3, 4-dihydro-quinazolin-2-yl) - (2-aryloxy-ethyl) amines active at the 5-HT receptor | HOFFMANN LA ROCHE (CH) | 2008-04-30 | — | — | CN | disclosed |