Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TOP1 | P11387 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 2/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.35 |
| ▸ | KCNJ1 | P48048 | 2/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.34 |
| ▸ | SYK | P43405 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13565095 | 1.00 | TOP1 (0.39) | TOP1CNR2MAPK14NPY5RKCNJ1 | |
| SCHEMBL17090035 | 0.85 | TOP1 (0.39) | TOP1 | |
| SCHEMBL13564942 | 0.85 | TOP1 (0.39) | TOP1 | |
| SCHEMBL17090368 | 0.82 | IMPDH2 (0.42) | NPY5RKCNJ1SYKALDH1A1 | |
| SCHEMBL17090361 | 0.82 | TAAR1 (0.37) | CNR2MAPK14ALDH1A1ALDH3A1 | |
| SCHEMBL13565104 | 0.82 | TAAR1 (0.37) | CNR2MAPK14ALDH1A1ALDH3A1 | |
| SCHEMBL13565131 | 0.81 | CRHR1 (0.39) | CNR2ALDH1A1ALDH3A1 | |
| SCHEMBL17090321 | 0.81 | CRHR1 (0.39) | CNR2ALDH1A1ALDH3A1 | |
| SCHEMBL13565614 | 0.81 | CRHR1 (0.39) | CNR2ALDH1A1ALDH3A1 | |
| SCHEMBL17089998 | 0.81 | CRHR1 (0.39) | CNR2ALDH1A1ALDH3A1 |
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-9139518-B2 | Amine derivative having NPY Y5 receptor antagonistic activity | SHIONOGI & CO., LTD. (JP) | 2015-09-22 | — | — | US | disclosed |