Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 20/20 | 0.86 |
| ▸ | CNR2 | P34972 | 7/20 | 0.82 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.82 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.82 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.82 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL13253302 | 1.00 | CNR1 (0.86) | CNR1CNR2CYP2D6CYP2C9KCNH2 | |
| SCHEMBL13253308 | 0.94 | CNR1 (0.89) | CNR1CNR2CYP2D6CYP2C9KCNH2 | |
| SCHEMBL3475410 | 0.94 | CNR1 (0.89) | CNR1CNR2CYP2D6CYP2C9KCNH2 | |
| SCHEMBL3475407 | 0.94 | CNR1 (0.89) | CNR1CNR2CYP2D6CYP2C9KCNH2 | |
| SCHEMBL3476147 | 0.93 | CNR1 (1.00) | CNR1CNR2CYP2D6CYP2C9KCNH2 | |
| SCHEMBL13253297 | 0.93 | CNR1 (1.00) | CNR1CNR2CYP2D6CYP2C9KCNH2 | |
| SCHEMBL3476149 | 0.93 | CNR1 (1.00) | CNR1CNR2CYP2D6CYP2C9KCNH2 | |
| SCHEMBL3476100 | 0.93 | CNR1 (0.86) | CNR1CNR2CYP2D6CYP2C9KCNH2 | |
| SCHEMBL13274384 | 0.93 | CNR1 (0.86) | CNR1CNR2CYP2D6CYP2C9KCNH2 | |
| SCHEMBL1895998 | 0.93 | CNR1 (0.86) | CNR1CNR2CYP2D6CYP2C9KCNH2 |
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-7754188-B2 | Radiolabeled cannabinoid-1 receptor modulators | MERCK SHARP & DOHME CORP. (US) | 2010-07-13 | — | — | US | disclosed |