Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 19/20 | 0.51 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.51 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.51 |
| ▸ | MMP2 | P08253 | 1/20 | 0.51 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.51 |
| ▸ | AKR1C2 | P52895 | 17/20 | 0.43 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.39 |
| ▸ | PTGES | O14684 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | STAT3 | P40763 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5790015 | 1.00 | AKR1C3 (0.51) | AKR1C3AKR1B10AKR1B1MMP2PAK1 | |
| SCHEMBL3375377 | 0.80 | AKR1C3 (0.54) | AKR1C3AKR1B10AKR1B1MMP2PAK1 | |
| SCHEMBL3375374 | 0.80 | AKR1C3 (0.54) | AKR1C3AKR1B10AKR1B1MMP2PAK1 | |
| SCHEMBL15397968 | 0.76 | AKR1C3 (0.54) | AKR1C3AKR1B10AKR1B1MMP2PAK1 | |
| SCHEMBL15397966 | 0.76 | AKR1C3 (0.54) | AKR1C3AKR1B10AKR1B1MMP2PAK1 | |
| Artepillin SCHEMBL7128580 | 0.69 | AKR1C3 (1.00) | AKR1C3AKR1B10AKR1B1MMP2PAK1 | |
| Artepillin SCHEMBL2138507 | 0.69 | AKR1C3 (1.00) | AKR1C3AKR1B10AKR1B1MMP2PAK1 | |
| Artepillin SCHEMBL1229229 | 0.69 | AKR1C3 (1.00) | AKR1C3AKR1B10AKR1B1MMP2PAK1 | |
| SCHEMBL3684666 | 0.68 | AKR1C3 (0.80) | AKR1C3AKR1B10AKR1B1MMP2PAK1 | |
| SCHEMBL3684668 | 0.68 | AKR1C3 (0.80) | AKR1C3AKR1B10AKR1B1MMP2PAK1 |
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-110917184-A | Application of coumaric compounds, pharmaceutical composition and application thereof | 中国科学院昆明植物研究所 | 2020-03-27 | — | — | CN | disclosed |