Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 11/20 | 0.53 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.37 |
| ▸ | ARHGDIA | P52565 | 1/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL3893302 | 0.84 | CALCRL (0.54) | CALCRLTRPV1 | |
| SCHEMBL3880197 | 0.84 | CALCRL (0.54) | CALCRLTRPV1 | |
| SCHEMBL13987074 | 0.83 | CALCRL (0.52) | CALCRLESR1 | |
| SCHEMBL2209495 | 0.83 | CALCRL (0.54) | CALCRLTRPV1 | |
| SCHEMBL4055362 | 0.78 | CALCRL (0.48) | CALCRLESR1ESR2 | |
| SCHEMBL4055364 | 0.78 | CALCRL (0.48) | CALCRLESR1ESR2 | |
| SCHEMBL3884718 | 0.78 | CALCRL (0.53) | CALCRLROCK2ROCK1MAPK1MAPK3 | |
| SCHEMBL3886482 | 0.78 | CALCRL (0.53) | CALCRLROCK2ROCK1MAPK1MAPK3 | |
| SCHEMBL2213969 | 0.75 | CALCRL (0.61) | CALCRLTRPV1 | |
| SCHEMBL1894819 | 0.75 | CALCRL (0.43) | CALCRLROCK1MAPK1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7470679-B2 | Constrained compounds as CGRP-receptor antagonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-12-30 | — | — | US | disclosed |