Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.35 |
| ▸ | GABBR2 | O75899 | 2/20 | 0.33 |
| ▸ | GABBR1 | Q9UBS5 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17545125 | 0.83 | CPB2 (0.37) | TRPA1 | |
| SCHEMBL5573625 | 0.79 | CPB2 (0.41) | CA1 | |
| SCHEMBL7553795 | 0.79 | CPB2 (0.41) | CA1 | |
| SCHEMBL7160486 | 0.79 | CPB2 (0.41) | CA1 | |
| SCHEMBL2359554 | 0.75 | CA1 (0.35) | TRPA1CA1 | |
| SCHEMBL8635514 | 0.73 | CA12 (0.36) | CA1 | |
| SCHEMBL28723280 | 0.71 | BLM (0.41) | GABRR1GABBR2GABBR1CA1 | |
| SCHEMBL5854965 | 0.69 | ATR (0.32) | — | |
| SCHEMBL11423058 | 0.67 | KDM4E (0.36) | CA1 | |
| SCHEMBL10693782 | 0.67 | GABRR1 (0.38) | TRPA1GABRR1GABBR2GABBR1CA1 |
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-1653962-A4 | PYRAZINE MODULATORS OF CANNABINOID RECEPTORS | BRISTOL MYERS SQUIBB CO (US) | 2008-06-11 | — | — | EP | disclosed |
| EP-1653962-A2 | PYRAZINE MODULATORS OF CANNABINOID RECEPTORS | Bristol-Myers Squibb Company (US) | 2006-05-10 | — | — | EP | disclosed |
| WO-2005016286-A2 | PYRAZINE MODULATORS OF CANNABINOID RECEPTORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-02-24 | — | — | WO | disclosed |