Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.42 |
| ▸ | NTRK1 | P04629 | 3/20 | 0.42 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.42 |
| ▸ | MC4R | P32245 | 2/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2998958 | 1.00 | SIGMAR1 (0.46) | SIGMAR1CHRM2CHRM1NTRK1MCHR1 | |
| SCHEMBL1713674 | 0.91 | RORC (0.45) | SIGMAR1NTRK1MCHR1MC4R | |
| SCHEMBL3014716 | 0.88 | MC4R (0.47) | SIGMAR1MC4R | |
| SCHEMBL2999488 | 0.88 | MC4R (0.47) | SIGMAR1MC4R | |
| SCHEMBL3002451 | 0.88 | MC4R (0.47) | SIGMAR1MC4R | |
| SCHEMBL3013478 | 0.84 | SIGMAR1 (0.50) | SIGMAR1CHRM2CHRM1MC4R | |
| SCHEMBL3011249 | 0.84 | SIGMAR1 (0.52) | SIGMAR1CHRM2 | |
| SCHEMBL3710694 | 0.84 | SIGMAR1 (0.52) | SIGMAR1CHRM2 | |
| SCHEMBL2998960 | 0.82 | SIGMAR1 (0.45) | SIGMAR1MCHR1 | |
| SCHEMBL31412642 | 0.80 | RORC (0.49) | SIGMAR1 |
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-2391615-A1 | Piperidine derivatives as nk3 receptor antagonists | F. Hoffmann-La Roche AG (CH) | 2011-12-07 | — | — | EP | disclosed |
| WO-2010086259-A1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-08-05 | — | — | WO | disclosed |