Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 9/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | CNR1 | P21554 | 6/20 | 0.45 |
| ▸ | CNR2 | P34972 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.42 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.41 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5204107 | 0.96 | TRPA1 (0.55) | TRPA1CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL5200626 | 0.92 | TRPA1 (0.51) | TRPA1CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL5201393 | 0.92 | TRPA1 (0.53) | TRPA1CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL5203736 | 0.91 | TRPA1 (0.49) | TRPA1CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL5200442 | 0.89 | TRPA1 (0.46) | TRPA1CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL5200398 | 0.89 | ALDH1A1 (0.52) | TRPA1CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL5201553 | 0.88 | TRPA1 (0.46) | TRPA1CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL5200605 | 0.87 | TRPA1 (0.44) | TRPA1CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL5202916 | 0.87 | TRPA1 (0.43) | TRPA1CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL5203999 | 0.86 | TRPA1 (0.45) | TRPA1CYP3A4CYP2C8CYP2D6CYP2C9 |
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 3 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 |