Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 20/20 | 0.49 |
| ▸ | CNR2 | P34972 | 9/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4691419 | 0.94 | CNR1 (0.51) | CNR1CNR2CYP2D6CYP2C9KCNH2 | |
| SCHEMBL2653528 | 0.91 | CNR1 (0.59) | CNR1CNR2CYP2D6CYP2C9KCNH2 | |
| SCHEMBL4688115 | 0.90 | CNR1 (0.48) | CNR1CNR2CYP2D6CYP2C9KCNH2 | |
| SCHEMBL4691031 | 0.87 | CNR1 (0.47) | CNR1CNR2CYP2D6CYP2C9KCNH2 | |
| SCHEMBL4691595 | 0.87 | CNR1 (0.39) | CNR1CNR2CYP2D6CYP2C9KCNH2 | |
| SCHEMBL4692850 | 0.86 | CNR1 (0.62) | CNR1CNR2CYP2D6CYP2C9KCNH2 | |
| SCHEMBL3401644 | 0.85 | CNR1 (0.68) | CNR1CNR2CYP2D6CYP2C9KCNH2 | |
| SCHEMBL4693237 | 0.83 | CNR1 (0.48) | CNR1CNR2CYP2D6CYP2C9KCNH2 | |
| SCHEMBL4688592 | 0.83 | CNR1 (0.40) | CNR1CNR2CYP2D6CYP2C9KCNH2 | |
| SCHEMBL4692012 | 0.82 | CNR1 (0.41) | CNR1CNR2 |
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 |