Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CNR2 | P34972 | 2/20 | 0.37 |
| ▸ | SYK | P43405 | 2/20 | 0.37 |
| ▸ | DRD3 | P35462 | 6/20 | 0.36 |
| ▸ | HTR2A | P28223 | 5/20 | 0.36 |
| ▸ | DRD2 | P14416 | 4/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 2/20 | 0.34 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.34 |
| ▸ | JAK1 | P23458 | 1/20 | 0.34 |
| ▸ | TYK2 | P29597 | 1/20 | 0.34 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 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 | |
|---|---|---|---|---|
| SCHEMBL13565563 | 1.00 | ALDH1A1 (0.38) | ALDH1A1CNR2SYKDRD3HTR2A | |
| SCHEMBL13564734 | 0.89 | HDAC3 (0.46) | ALDH1A1DRD3DRD2HDAC3HDAC8 | |
| SCHEMBL13565473 | 0.89 | ALDH1A1 (0.41) | ALDH1A1CNR2KDM4EALDH3A1TGFBR1 | |
| SCHEMBL17089942 | 0.89 | ALDH1A1 (0.41) | ALDH1A1CNR2KDM4EALDH3A1TGFBR1 | |
| SCHEMBL13565597 | 0.88 | ALDH1A1 (0.43) | ALDH1A1CNR2KDM4EALDH3A1TGFBR1 | |
| SCHEMBL17089940 | 0.88 | ALDH1A1 (0.43) | ALDH1A1CNR2KDM4EALDH3A1TGFBR1 | |
| SCHEMBL17090471 | 0.87 | CNR2 (0.49) | ALDH1A1CNR2KDM4EJAK2JAK1 | |
| SCHEMBL13564736 | 0.87 | DRD2 (0.47) | CNR2DRD3DRD2TGFBR1 | |
| SCHEMBL17090468 | 0.87 | CNR2 (0.49) | ALDH1A1CNR2KDM4EJAK2JAK1 | |
| SCHEMBL13565468 | 0.87 | CNR2 (0.49) | ALDH1A1CNR2KDM4EJAK2JAK1 |
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 |