Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 5/20 | 0.43 |
| ▸ | CNR1 | P21554 | 12/20 | 0.42 |
| ▸ | CNR2 | P34972 | 8/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.40 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.40 |
| ▸ | VNN1 | O95497 | 1/20 | 0.38 |
| ▸ | PTGES | O14684 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5203327 | 0.87 | TRPA1 (0.51) | TRPA1CNR1CNR2CYP3A4CYP2C8 | |
| SCHEMBL5204107 | 0.86 | TRPA1 (0.55) | TRPA1CNR1CNR2CYP3A4CYP2C8 | |
| SCHEMBL5201553 | 0.84 | TRPA1 (0.46) | TRPA1CNR1CNR2CYP3A4CYP2C8 | |
| SCHEMBL5200442 | 0.84 | TRPA1 (0.46) | TRPA1CNR1CNR2CYP3A4CYP2C8 | |
| SCHEMBL5200605 | 0.83 | TRPA1 (0.44) | TRPA1CNR1CNR2CYP3A4CYP2C8 | |
| SCHEMBL5200626 | 0.82 | TRPA1 (0.51) | TRPA1CNR1CNR2CYP3A4CYP2C8 | |
| SCHEMBL5201393 | 0.82 | TRPA1 (0.53) | TRPA1CNR1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL5203736 | 0.82 | TRPA1 (0.49) | TRPA1CNR1CNR2CYP3A4CYP2C8 | |
| SCHEMBL5203337 | 0.82 | HDAC4 (0.47) | TRPA1CNR1CNR2CYP3A4CYP2C8 | |
| SCHEMBL5202925 | 0.81 | CNR1 (0.48) | CNR1CNR2CYP3A4 |
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-1490043-A4 | SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS | MERCK & CO INC (US) | 2007-05-30 | — | — | EP | claimed |
| EP-1490043-A2 | SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS | Merck & Co., Inc. (US) | 2004-12-29 | — | — | EP | claimed |
| WO-2003082190-A2 | SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS | MERCK & CO., INC. (US) | 2003-10-09 | — | — | WO | claimed |
| EP-1490043-A4 | SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS | MERCK & CO INC (US) | 2007-05-30 | — | — | EP | disclosed |
| EP-1490043-A2 | SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS | Merck & Co., Inc. (US) | 2004-12-29 | — | — | EP | disclosed |
| WO-2003082190-A2 | SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS | MERCK & CO., INC. (US) | 2003-10-09 | — | — | WO | disclosed |