Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.31 |
| ▸ | RELA | Q04206 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20249697 | 0.77 | NPC1 (0.33) | HCAR2PIK3CANPC1MAPTRAB9A | |
| SCHEMBL1413498 | 0.67 | — | — | |
| SCHEMBL25905425 | 0.64 | HCAR2 (0.36) | HCAR2PIK3CAGRM4 | |
| SCHEMBL3930654 | 0.63 | — | — | |
| SCHEMBL23175817 | 0.62 | RAF1 (0.35) | — | |
| SCHEMBL8237552 | 0.62 | PIK3CA (0.35) | HCAR2PIK3CAGRM4 | |
| SCHEMBL15860422 | 0.62 | PIK3CA (0.35) | HCAR2PIK3CAGRM4 | |
| Hydrochloric Acid SCHEMBL16633304 | 0.61 | HCAR2 (0.38) | HCAR2PIK3CAGRM4 | |
| SCHEMBL3935512 | 0.61 | HCAR2 (0.52) | HCAR2NPC1RAB9A | |
| SCHEMBL2698600 | 0.61 | ALDH1A1 (0.62) | RAB9ASMN1; 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 |
|---|---|---|---|---|---|---|---|
| WO-2017117708-A1 | PYRAZOLE DERIVATIVES | HUA MEDICINE (SHANGHAI) LTD. (CN) | 2017-07-13 | — | — | WO | disclosed |