Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 17/20 | 0.54 |
| ▸ | CNR2 | P34972 | 10/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4690920 | 0.96 | CNR1 (0.51) | CNR1CNR2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL4689273 | 0.95 | CNR1 (0.55) | CNR1CNR2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL4688895 | 0.93 | CNR1 (0.54) | CNR1CNR2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL2653184 | 0.92 | CNR1 (0.56) | CNR1CNR2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL4690815 | 0.90 | CNR1 (0.53) | CNR1CNR2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL4691880 | 0.89 | CNR1 (0.67) | CNR1CNR2 | |
| SCHEMBL2656390 | 0.89 | CNR1 (0.67) | CNR1CNR2 | |
| SCHEMBL4688684 | 0.89 | CNR1 (0.62) | CNR1CNR2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL4688560 | 0.88 | CNR1 (0.60) | CNR1CNR2 | |
| SCHEMBL4691697 | 0.88 | CNR1 (0.67) | CNR1CNR2CYP1A2CYP3A4CYP2C9 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1496838-A4 | SUBSTITUTED AMIDES | MERCK & CO INC (US) | 2008-07-02 | — | — | EP | claimed |
| EP-1496838-A2 | SUBSTITUTED AMIDES | Merck & Co., Inc. (US) | 2005-01-19 | — | — | EP | claimed |
| WO-2003077847-A2 | SUBSTITUTED AMIDES | MERCK & CO., INC. (US) | 2003-09-25 | — | — | WO | claimed |
| EP-1496838-A4 | SUBSTITUTED AMIDES | MERCK & CO INC (US) | 2008-07-02 | — | — | EP | disclosed |
| EP-1496838-A2 | SUBSTITUTED AMIDES | Merck & Co., Inc. (US) | 2005-01-19 | — | — | EP | disclosed |
| WO-2003077847-A2 | SUBSTITUTED AMIDES | MERCK & CO., INC. (US) | 2003-09-25 | — | — | WO | disclosed |