Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | GRM2 | Q14416 | 8/20 | 0.46 |
| ▸ | SIRT2 | Q8IXJ6 | 6/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL10424176 | 1.00 | PPARG (0.49) | PPARGCYP1A2GRM2SIRT2ALDH1A1 | |
| SCHEMBL9069823 | 1.00 | PPARG (0.49) | PPARGCYP1A2GRM2SIRT2ALDH1A1 | |
| SCHEMBL9069827 | 1.00 | PPARG (0.49) | PPARGCYP1A2GRM2SIRT2ALDH1A1 | |
| SCHEMBL4651594 | 0.87 | CYP3A4 (0.40) | PPARGCYP1A2GRM2SIRT2ALDH1A1 | |
| SCHEMBL18855283 | 0.80 | CYP3A4 (0.38) | PPARGCYP1A2GRM2ALDH1A1 | |
| SCHEMBL10424162 | 0.79 | PTPN1 (0.51) | PPARGCYP1A2GRM2SIRT2ALDH1A1 | |
| SCHEMBL8176788 | 0.77 | CYP1A2 (0.67) | PPARGCYP1A2GRM2SIRT2ALDH1A1 | |
| SCHEMBL8350663 | 0.77 | CYP1A2 (0.67) | PPARGCYP1A2GRM2SIRT2ALDH1A1 | |
| SCHEMBL6116259 | 0.77 | CYP1A2 (0.67) | PPARGCYP1A2GRM2SIRT2ALDH1A1 | |
| SCHEMBL20803560 | 0.77 | CYP1A2 (0.67) | PPARGCYP1A2GRM2SIRT2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108368079-A | Treat the compound and method of bacterium infection | 优拓制药公司 | 2018-08-03 | — | — | CN | claimed |
| CN-108368079-A | Treat the compound and method of bacterium infection | 优拓制药公司 | 2018-08-03 | — | — | CN | disclosed |