Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | CNR2 | P34972 | 6/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CRHR1 | P34998 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 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 | |
|---|---|---|---|---|
| SCHEMBL13564852 | 1.00 | ALDH1A1 (0.38) | ALDH1A1ALDH3A1TP53MAPTCNR2 | |
| SCHEMBL11935220 | 0.90 | CNR2 (0.37) | ALDH1A1ALDH3A1CNR2NPY5RCRHR1 | |
| SCHEMBL13438903 | 0.90 | CNR2 (0.37) | ALDH1A1ALDH3A1CNR2NPY5RCRHR1 | |
| SCHEMBL13438612 | 0.88 | KDM4E (0.41) | TP53CNR2NPC1RAB9AHPGD | |
| SCHEMBL13462785 | 0.88 | KDM4E (0.41) | TP53CNR2NPC1RAB9AHPGD | |
| SCHEMBL13438604 | 0.88 | KDM4E (0.41) | TP53CNR2NPC1RAB9AHPGD | |
| SCHEMBL13564865 | 0.87 | ALDH1A1 (0.39) | ALDH1A1ALDH3A1MAPTCNR2NPY5R | |
| SCHEMBL17090109 | 0.87 | ALDH1A1 (0.39) | ALDH1A1ALDH3A1CNR2NPY5RCRHR1 | |
| SCHEMBL13565117 | 0.87 | ALDH1A1 (0.39) | ALDH1A1ALDH3A1CNR2NPY5RCRHR1 | |
| SCHEMBL17090359 | 0.87 | ALDH1A1 (0.39) | ALDH1A1ALDH3A1MAPTCNR2NPY5R |
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 |