Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.96 |
| ▸ | PPARG | P37231 | 2/20 | 0.56 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | GRM2 | Q14416 | 5/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.41 |
| ▸ | PRKCA | P17252 | 4/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL25940924 | 1.00 | CYP1A2 (0.96) | CYP1A2PPARGEPHX1ALDH1A1GRM2 | |
| SCHEMBL1358227 | 1.00 | CYP1A2 (0.96) | CYP1A2PPARGEPHX1ALDH1A1GRM2 | |
| SCHEMBL112484 | 1.00 | CYP1A2 (0.96) | CYP1A2PPARGEPHX1ALDH1A1GRM2 | |
| SCHEMBL2077607 | 0.98 | CYP1A2 (1.00) | CYP1A2PPARGEPHX1ALDH1A1GRM2 | |
| SCHEMBL7054931 | 0.98 | CYP1A2 (1.00) | CYP1A2PPARGEPHX1ALDH1A1GRM2 | |
| SCHEMBL7059195 | 0.98 | CYP1A2 (1.00) | CYP1A2PPARGEPHX1ALDH1A1GRM2 | |
| SCHEMBL3661965 | 0.98 | CYP1A2 (1.00) | CYP1A2PPARGEPHX1ALDH1A1GRM2 | |
| SCHEMBL333202 | 0.98 | CYP1A2 (1.00) | CYP1A2PPARGEPHX1ALDH1A1GRM2 | |
| SCHEMBL7059128 | 0.98 | CYP1A2 (1.00) | CYP1A2PPARGEPHX1ALDH1A1GRM2 | |
| SCHEMBL17627672 | 0.98 | CYP1A2 (1.00) | CYP1A2PPARGEPHX1ALDH1A1GRM2 |
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-111896655-A | Method for analyzing and exploring functional metabolites produced by probiotics in digestive tract | 中国农业大学 | 2020-11-06 | — | — | CN | disclosed |