Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 8/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.43 |
| ▸ | CALCRL | Q16602 | 5/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.38 |
| ▸ | CTSC | P53634 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.36 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.36 |
| ▸ | F2 | P00734 | 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 | |
|---|---|---|---|---|
| SCHEMBL5658567 | 0.79 | CYP3A4 (0.58) | ROCK2CYP3A4CALCRL | |
| SCHEMBL5660905 | 0.78 | CYP3A4 (0.55) | ROCK2CYP3A4CALCRL | |
| SCHEMBL5658992 | 0.76 | CYP3A4 (0.62) | ROCK2CYP3A4CALCRLCTSC | |
| SCHEMBL3602598 | 0.75 | CYP3A4 (0.63) | ROCK2CYP3A4CALCRLMAPK1 | |
| SCHEMBL5657890 | 0.75 | CYP3A4 (0.58) | ROCK2CYP3A4CALCRL | |
| SCHEMBL5659612 | 0.74 | CYP3A4 (0.55) | ROCK2CYP3A4CALCRL | |
| SCHEMBL3602707 | 0.74 | CALCRL (0.60) | ROCK2CYP3A4CALCRL | |
| SCHEMBL25359276 | 0.71 | ROCK2 (0.53) | ROCK2CYP3A4MAPK1CLK4 | |
| SCHEMBL25357327 | 0.71 | ROCK2 (0.53) | ROCK2CYP3A4MAPK1CLK4 | |
| SCHEMBL25357335 | 0.71 | ROCK2 (0.53) | ROCK2CYP3A4MAPK1CLK4 |
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-1689493-A4 | CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS | BRISTOL MYERS SQUIBB CO (US) | 2008-04-23 | — | — | EP | disclosed |
| EP-1689493-A1 | CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS | Bristol-Myers Squibb Pharma Company (US) | 2006-08-16 | — | — | EP | disclosed |
| WO-2005065779-A1 | CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-07-21 | — | — | WO | disclosed |