Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.48 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | AKT2 | P31751 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL23197679 | 0.82 | TDP1 (0.56) | KDM4EALDH1A1HPGDHSD17B10NPC1 | |
| SCHEMBL17778297 | 0.82 | NQO2 (0.47) | CYP2C9CYP2C19KDM4EALDH1A1HPGD | |
| SCHEMBL13680604 | 0.80 | GSK3B (0.42) | CYP2C9CYP2C19KDM4EALDH1A1HPGD | |
| SCHEMBL21381239 | 0.78 | CYP2A6 (0.68) | HRH3TAAR1CYP2E1CYP3A4CYP2D6 | |
| SCHEMBL13680607 | 0.77 | HRH3 (0.57) | HRH3TAAR1CYP2A6CYP2C19KDM4E | |
| SCHEMBL20782264 | 0.77 | ESR1 (0.44) | KDM4EALDH1A1HPGDHSD17B10NPC1 | |
| SCHEMBL13680606 | 0.77 | GSK3B (0.38) | KDM4EALDH1A1HPGDHSD17B10NPC1 | |
| SCHEMBL13212958 | 0.77 | TDP1 (0.43) | TAAR1CYP3A4KDM4EALDH1A1HPGD | |
| SCHEMBL2319851 | 0.76 | TDP1 (0.48) | CYP2C19KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL24670424 | 0.76 | HRH3 (0.50) | HRH3TAAR1CYP2E1CYP3A4CYP2D6 |
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 |