Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 13/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.34 |
| ▸ | GPER1 | Q99527 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.34 |
| ▸ | ITGAV | P06756 | 1/20 | 0.34 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3893302 | 0.84 | CALCRL (0.54) | CALCRLITGB3ITGA2B | |
| SCHEMBL3880197 | 0.84 | CALCRL (0.54) | CALCRLITGB3ITGA2B | |
| SCHEMBL2212320 | 0.80 | CALCRL (0.52) | CALCRLGPER1ESR1ITGB3ITGA2B | |
| SCHEMBL2212288 | 0.80 | CALCRL (0.52) | CALCRLGPER1ESR1ITGB3ITGA2B | |
| SCHEMBL2209495 | 0.75 | CALCRL (0.54) | CALCRLITGB3ITGA2B | |
| SCHEMBL2209677 | 0.71 | ITGB3 (0.38) | CALCRLGPER1ESR1ITGB3ITGA2B | |
| SCHEMBL2210420 | 0.71 | CALCRL (0.52) | CALCRL | |
| SCHEMBL2209884 | 0.71 | CALCRL (0.52) | CALCRL | |
| SCHEMBL2212568 | 0.69 | MAPK1 (0.48) | CALCRL | |
| SCHEMBL3882618 | 0.69 | MAPK1 (0.48) | CALCRL |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2013214-B1 | CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS | BRISTOL MYERS SQUIBB CO (US) | 2015-06-24 | — | — | EP | disclosed |
| EP-2013213-B1 | CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS | BRISTOL MYERS SQUIBB CO (US) | 2011-07-27 | — | — | EP | disclosed |