Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 4/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | PREP | P48147 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11969443 | 1.00 | FAAH (0.46) | FAAHCYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL29159388 | 0.98 | FAAH (0.45) | FAAHCYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL1300042 | 0.95 | ALDH1A1 (0.46) | ALDH1A1 | |
| SCHEMBL11990414 | 0.89 | GBA1 (0.47) | CYP2C19ALDH1A1 | |
| SCHEMBL3357129 | 0.85 | CYP1A2 (0.44) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL14468212 | 0.83 | HRH3 (0.49) | — | |
| SCHEMBL7360051 | 0.81 | HSD11B1 (0.51) | — | |
| SCHEMBL3355254 | 0.80 | OPRD1 (0.42) | ALDH1A1 | |
| SCHEMBL6443378 | 0.80 | ALDH1A1 (0.47) | CYP1A2CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL31317878 | 0.79 | SLC6A3 (0.50) | — |
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-8143288-B2 | Inhibitors of HCV replication | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-27 | — | — | US | disclosed |