Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 2/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | PRKCA | P17252 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NAAA | Q02083 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28237732 | 1.00 | CYP1A2 (0.71) | CYP1A2ALDH1A1CHRM5L3MBTL1PPARG | |
| SCHEMBL8710704 | 1.00 | CYP1A2 (0.71) | CYP1A2ALDH1A1CHRM5L3MBTL1PPARG | |
| SCHEMBL664978 | 0.98 | CYP1A2 (0.69) | CYP1A2ALDH1A1CHRM5L3MBTL1PPARG | |
| SCHEMBL6662416 | 0.98 | CYP1A2 (0.69) | CYP1A2ALDH1A1CHRM5L3MBTL1PPARG | |
| SCHEMBL28296028 | 0.98 | CYP1A2 (0.69) | CYP1A2ALDH1A1CHRM5L3MBTL1PPARG | |
| SCHEMBL9136471 | 0.98 | CYP1A2 (0.69) | CYP1A2ALDH1A1CHRM5L3MBTL1PPARG | |
| SCHEMBL5105796 | 0.94 | CYP1A2 (0.62) | CYP1A2ALDH1A1CHRM5L3MBTL1PPARG | |
| SCHEMBL5988542 | 0.94 | CYP1A2 (0.62) | CYP1A2ALDH1A1CHRM5L3MBTL1PPARG | |
| SCHEMBL18263291 | 0.88 | — | — | |
| SCHEMBL12641503 | 0.88 | — | — |
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-108484537-A | A kind of preparation method of (R)-(+)-nonyl lactone and (S)-(-)-nonyl lactone | 博润生物科技南通有限公司 | 2018-09-04 | — | — | CN | disclosed |