Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.38 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.38 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.37 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.37 |
| ▸ | PRKAB2 | O43741 | 3/20 | 0.34 |
| ▸ | PRKAG1 | P54619 | 3/20 | 0.34 |
| ▸ | PRKAA2 | P54646 | 3/20 | 0.34 |
| ▸ | PRKAA1 | Q13131 | 3/20 | 0.34 |
| ▸ | PRKAG3 | Q9UGI9 | 3/20 | 0.34 |
| ▸ | PRKAG2 | Q9UGJ0 | 3/20 | 0.34 |
| ▸ | PRKAB1 | Q9Y478 | 3/20 | 0.34 |
| ▸ | PTGFR | P43088 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL27400767 | 0.76 | GPR84 (0.59) | CYP1A2CYSLTR2CYSLTR1CYP3A4ALDH1A1 | |
| Butyric Acid SCHEMBL433437 | 0.76 | CYP1A2 (0.46) | CYP1A2GSK3BCSNK2A1PRKAB2PRKAG1 | |
| Decanoic Acid SCHEMBL4214099 | 0.76 | CYP1A2 (0.42) | CYP1A2GSK3BMTNR1ACSNK2A1ALDH1A1 | |
| Nonanoate SCHEMBL27808330 | 0.76 | CYP1A2 (0.42) | CYP1A2GSK3BMTNR1ACSNK2A1ALDH1A1 | |
| Palmitic Acid SCHEMBL432626 | 0.76 | CYP1A2 (0.42) | CYP1A2GSK3BMTNR1ACSNK2A1ALDH1A1 | |
| Octanoic Acid SCHEMBL435382 | 0.76 | CYP1A2 (0.42) | CYP1A2GSK3BMTNR1ACSNK2A1ALDH1A1 | |
| SCHEMBL19708399 | 0.69 | CSNK2A1 (0.49) | CYP1A2GSK3BMTNR1AMTNR1BCSNK2A1 | |
| Octanoic Acid SCHEMBL3890252 | 0.68 | TRPV1 (0.37) | CYP1A2GSK3BMTNR1ACSNK2A1ALDH1A1 | |
| SCHEMBL8800942 | 0.68 | CSNK2A1 (0.58) | CYP1A2GSK3BMTNR1AMTNR1BCSNK2A1 | |
| SCHEMBL15300738 | 0.66 | PRKAB2 (0.59) | CSNK2A1PRKAB2PRKAG1PRKAA2PRKAA1 |
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-102016063-B | Choline esterase inhibitory substance detection device, detection kit and detection method | INST OF MICROCHEMICAL TECHNOLOGY CO LTD | 2014-09-17 | — | — | CN | disclosed |