Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | PRMT1 | Q99873 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.32 |
| ▸ | MAPT | P10636 | 4/20 | 0.32 |
| ▸ | PKM | P14618 | 4/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | PPARD | Q03181 | 2/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.31 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13680900 | 0.84 | MAPT (0.41) | ALDH1A1MAPTPKMKDM4ECYP2A6 | |
| SCHEMBL13680885 | 0.81 | TRPV4 (0.35) | CYP1A2CYP2C19CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL13680868 | 0.81 | PRMT1 (0.49) | CYP1A2CYP2C19CYP2C9PRMT1ALDH1A1 | |
| SCHEMBL13680889 | 0.79 | ALDH1A1 (0.36) | CYP1A2CYP2C19CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL13680899 | 0.77 | CYP2C19 (0.40) | CYP1A2CYP2C19CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL13680956 | 0.74 | SHMT2 (0.40) | ALDH1A1MAPTKDM4EPPARDHPGD | |
| SCHEMBL13681294 | 0.73 | ALDH1A1 (0.33) | CYP1A2CYP2C19CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL13680902 | 0.73 | APP (0.40) | CYP1A2CYP2C19ALDH1A1MAPTPKM | |
| SCHEMBL13680896 | 0.73 | ALDH1A1 (0.41) | CYP1A2CYP2C19CYP3A4PRMT1ALDH1A1 | |
| SCHEMBL13681006 | 0.73 | CYP2C19 (0.39) | CYP1A2CYP2C19CYP3A4CYP2C9ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7582658-B2 | Bicyclic compound | ASAHI KASEI PHARMA CORPORATION (JP) | 2009-09-01 | — | — | US | disclosed |
| US-7582658-B2 | Bicyclic compound | ASAHI KASEI PHARMA CORPORATION (JP) | 2009-09-01 | — | — | US | disclosed |