Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR3C2 | P08235 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 6/20 | 0.32 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.32 |
| ▸ | KCNT1 | Q5JUK3 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2211378 | 0.84 | — | — | |
| SCHEMBL5592013 | 0.83 | NR3C2 (0.34) | NR3C2CHRM3NTRK1KCNT1GAA | |
| SCHEMBL2213566 | 0.80 | GPR119 (0.45) | — | |
| SCHEMBL5182812 | 0.73 | DPP4 (0.37) | — | |
| SCHEMBL4053813 | 0.72 | MAPT (0.37) | KCNT1GAA | |
| SCHEMBL2359872 | 0.70 | TSHR (0.34) | GAA | |
| SCHEMBL2980219 | 0.70 | ALDH1A1 (0.36) | CHRM3 | |
| SCHEMBL2212500 | 0.70 | STS (0.41) | — | |
| SCHEMBL2213653 | 0.69 | DPP4 (0.46) | — | |
| SCHEMBL2214131 | 0.66 | ALDH1A1 (0.42) | CHRM2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2013213-B1 | CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS | BRISTOL MYERS SQUIBB CO (US) | 2011-07-27 | — | — | EP | disclosed |