Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 12/20 | 0.44 |
| ▸ | CNR2 | P34972 | 9/20 | 0.44 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.41 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CCR5 | P51681 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5202788 | 0.98 | CNR1 (0.44) | CNR1CNR2ITGB1ITGA4SMN1; SMN2 | |
| SCHEMBL5200390 | 0.96 | CNR1 (0.45) | CNR1CNR2HTT | |
| SCHEMBL5205554 | 0.91 | CNR1 (0.46) | CNR1CNR2ITGB1ITGA4SMN1; SMN2 | |
| SCHEMBL5201227 | 0.90 | ITGB1 (0.46) | CNR1CNR2ITGB1ITGA4 | |
| SCHEMBL5200439 | 0.88 | CNR1 (0.47) | CNR1CNR2ITGB1ITGA4SMN1; SMN2 | |
| SCHEMBL5201747 | 0.88 | CNR1 (0.47) | CNR1CNR2ITGB1ITGA4 | |
| SCHEMBL5204011 | 0.88 | CNR1 (0.61) | CNR1CNR2 | |
| SCHEMBL5201208 | 0.88 | CNR1 (0.61) | CNR1CNR2 | |
| SCHEMBL5202751 | 0.87 | GPR84 (0.40) | CNR1CNR2ITGB1ITGA4SMN1; SMN2 | |
| SCHEMBL5202911 | 0.86 | CNR1 (0.61) | 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 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 |