Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | FEN1 | P39748 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 3/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.32 |
| ▸ | CDK2 | P24941 | 2/20 | 0.32 |
| ▸ | GSK3B | P49841 | 2/20 | 0.32 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL682873 | 0.82 | HSD17B10 (0.41) | FEN1SMN1; SMN2CCNE1CDK2GSK3B | |
| SCHEMBL17918751 | 0.78 | CCNE1 (0.38) | FEN1CCNE1CDK2GSK3BPIK3CG | |
| SCHEMBL873455 | 0.78 | HSP90AB1 (0.38) | HTTFEN1SMN1; SMN2CCNE1CDK2 | |
| SCHEMBL3130057 | 0.77 | PIK3CG (0.35) | HTTPIK3CG | |
| SCHEMBL10150924 | 0.75 | CCNE1 (0.41) | FEN1CCNE1CDK2GSK3BL3MBTL1 | |
| SCHEMBL8566607 | 0.73 | — | — | |
| SCHEMBL15229474 | 0.73 | — | — | |
| SCHEMBL8532973 | 0.72 | ALDH1A1 (0.45) | HTTFEN1SMN1; SMN2ALDH1A1POLB | |
| SCHEMBL12318440 | 0.72 | PLA2G10 (0.47) | SMN1; SMN2ALDH1A1RAB9A | |
| SCHEMBL2629342 | 0.70 | — | — |
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-3495363-B1 | NITROGEN-CONTAINING CONDENSED RING COMPOUNDS HAVING DOPAMINE D3 RECEPTOR ANTAGONISTIC EFFECT | SHIONOGI & CO (JP) | 2023-08-23 | — | — | EP | disclosed |
| EP-3744721-A1 | CONDENSED CYCLIC COMPOUND HAVING DOPAMINE D3 RECEPTOR ANTAGONISM | Shionogi & Co., Ltd (JP) | 2020-12-02 | — | — | EP | disclosed |