Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.35 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.33 |
| ▸ | PI4KB | Q9UBF8 | 2/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | PKM | P14618 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13680889 | 0.82 | ALDH1A1 (0.36) | CYP2A6ALDH1A1MAPTPKMKDM4E | |
| SCHEMBL13680901 | 0.81 | CYP1A2 (0.36) | CYP2A6ALDH1A1MAPTPKMKDM4E | |
| SCHEMBL13680899 | 0.80 | CYP2C19 (0.40) | CYP2A6ALDH1A1MAPTPKMKDM4E | |
| SCHEMBL18003068 | 0.79 | KDM4E (0.53) | TRPV4KCNH2PIK3CAPI4KBMAP4K4 | |
| SCHEMBL13680869 | 0.79 | PRMT1 (0.46) | CYP2A6ALDH1A1MAPTPKMKDM4E | |
| SCHEMBL13680902 | 0.76 | APP (0.40) | CYP2A6ALDH1A1MAPTPKMKDM4E | |
| SCHEMBL13681294 | 0.76 | ALDH1A1 (0.33) | KCNH2CYP2A6ALDH1A1MAPTPKM | |
| SCHEMBL13680900 | 0.76 | MAPT (0.41) | CYP2A6ALDH1A1MAPTPKMKDM4E | |
| SCHEMBL13680896 | 0.76 | ALDH1A1 (0.41) | ALDH1A1MAPTPKMKDM4EHPGD | |
| SCHEMBL13681006 | 0.76 | CYP2C19 (0.39) | CYP2A6ALDH1A1MAPTPKMKDM4E |
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 |