Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | THRA | P10827 | 2/20 | 0.44 |
| ▸ | THRB | P10828 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | RARB | P10826 | 1/20 | 0.41 |
| ▸ | PLK1 | P53350 | 1/20 | 0.41 |
| ▸ | CYP4Z1 | Q86W10 | 2/20 | 0.40 |
| ▸ | CYP4F11 | Q9HBI6 | 1/20 | 0.40 |
| ▸ | CYP4F12 | Q9HCS2 | 1/20 | 0.40 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.40 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.40 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13524725 | 0.82 | CYP3A4 (0.58) | CYP3A4CYP2D6CYP2C9ALDH1A1HPGD | |
| SCHEMBL14430275 | 0.81 | CYP3A4 (0.68) | CYP3A4CYP2D6CYP2C9ALDH1A1HSD17B10 | |
| SCHEMBL13805424 | 0.81 | CYP2C9 (0.53) | CYP3A4CYP2D6CYP2C9ALDH1A1HPGD | |
| SCHEMBL5680616 | 0.80 | CYP3A4 (0.66) | CYP3A4CYP2D6CYP2C9ALDH1A1HSD17B10 | |
| SCHEMBL5678389 | 0.80 | CYP3A4 (0.66) | CYP3A4CYP2D6CYP2C9ALDH1A1HSD17B10 | |
| SCHEMBL5921414 | 0.80 | CYP3A4 (0.66) | CYP3A4CYP2D6CYP2C9ALDH1A1HSD17B10 | |
| SCHEMBL5920334 | 0.80 | CYP3A4 (0.66) | CYP3A4CYP2D6CYP2C9ALDH1A1HSD17B10 | |
| SCHEMBL5518344 | 0.78 | CYP3A4 (0.53) | CYP3A4CYP2D6CYP2C9ALDH1A1HPGD | |
| SCHEMBL13590026 | 0.77 | CYP3A4 (0.50) | CYP3A4CYP2D6CYP2C9ALDH1A1HPGD | |
| SCHEMBL11524101 | 0.76 | CYP3A4 (0.60) | CYP3A4CYP2D6CYP2C9ALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-8173638-B2 | Compounds which modulate the CB2 receptor | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-05-08 | — | — | US | disclosed |