Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 11/20 | 0.66 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.61 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | HCAR3 | P49019 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.42 |
| ▸ | CDK2 | P24941 | 1/20 | 0.42 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL26115950 | 0.86 | HCAR2 (0.68) | HCAR2MAPK1NPC1POLBRAB9A | |
| SCHEMBL17376787 | 0.86 | HCAR2 (0.62) | HCAR2MAPK1NPC1POLBRAB9A | |
| SCHEMBL11089590 | 0.84 | MAPK1 (0.59) | HCAR2MAPK1NPC1POLBRAB9A | |
| SCHEMBL1233899 | 0.84 | HCAR2 (0.64) | HCAR2POLBKMT2AL3MBTL1HCAR3 | |
| SCHEMBL1315533 | 0.84 | MAPK1 (0.59) | HCAR2MAPK1NPC1POLBRAB9A | |
| SCHEMBL24963148 | 0.84 | MAPK1 (0.59) | HCAR2MAPK1NPC1POLBRAB9A | |
| SCHEMBL15777079 | 0.83 | MAPK1 (0.57) | HCAR2MAPK1NPC1POLBRAB9A | |
| SCHEMBL20525153 | 0.81 | MAPK1 (0.56) | HCAR2MAPK1NPC1POLBRAB9A | |
| SCHEMBL3954952 | 0.79 | HCAR2 (1.00) | HCAR2HCAR3 | |
| SCHEMBL16979047 | 0.79 | HCAR2 (0.72) | HCAR2HCAR3CCNA2CDK2CCNA1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114874143-A | Regulator containing pyrazole derivatives, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2022-08-09 | — | — | CN | disclosed |