Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | SCD | O00767 | 1/20 | 0.39 |
| ▸ | PI4KB | Q9UBF8 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | NPY5R | Q15761 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | CCNK | O75909 | 1/20 | 0.34 |
| ▸ | CDK9 | P50750 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 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 | |
|---|---|---|---|---|
| SCHEMBL13564740 | 1.00 | NPC1 (0.42) | NPC1SCDPI4KBRAB9ANPY5R | |
| SCHEMBL13565931 | 0.83 | NPC1 (0.40) | NPC1SCDPI4KBRAB9ANPY5R | |
| SCHEMBL13564975 | 0.83 | NPY5R (0.34) | PI4KBNPY5RCCNKCDK9BRD4 | |
| SCHEMBL13026587 | 0.82 | RAB9A (0.50) | NPC1SCDRAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL10113141 | 0.79 | RAB9A (0.61) | NPC1RAB9ANPY5RALDH1A1SMN1; SMN2 | |
| SCHEMBL13203737 | 0.79 | RAB9A (0.61) | NPC1RAB9ANPY5RALDH1A1SMN1; SMN2 | |
| SCHEMBL13565601 | 0.78 | PTPN2 (0.41) | NPY5RALDH1A1CCNKCDK9 | |
| SCHEMBL17090500 | 0.78 | PTPN2 (0.41) | NPY5RALDH1A1CCNKCDK9 | |
| SCHEMBL13565698 | 0.76 | FLT3 (0.34) | NPY5R | |
| SCHEMBL13438663 | 0.75 | CCNK (0.47) | NPC1SCDRAB9AALDH1A1SMN1; SMN2 |
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 |