Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FASN | P49327 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | APP | P05067 | 2/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.32 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.32 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.32 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.32 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.32 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.32 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.32 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.32 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.32 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.31 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12377041 | 0.93 | FASN (0.49) | FASNCYP3A4CYP2C9APPESR2 | |
| SCHEMBL10091195 | 0.87 | CYP3A4 (0.56) | FASNCYP3A4CYP2C9APPESR2 | |
| SCHEMBL14211884 | 0.87 | CYP3A4 (0.56) | FASNCYP3A4CYP2C9APPESR2 | |
| SCHEMBL18458595 | 0.87 | CYP3A4 (0.56) | FASNCYP3A4CYP2C9APPESR2 | |
| SCHEMBL19020104 | 0.87 | FASN (0.46) | FASNCYP3A4CYP2C9APPESR2 | |
| SCHEMBL16317705 | 0.87 | FASN (0.47) | FASNCYP3A4CYP2C9APPESR2 | |
| SCHEMBL2741531 | 0.85 | FASN (0.47) | FASNCYP3A4CYP2C9APPESR2 | |
| SCHEMBL91987 | 0.85 | FASN (0.47) | FASNCYP3A4CYP2C9APPESR2 | |
| SCHEMBL19820860 | 0.84 | FASN (0.47) | FASNCYP3A4CYP2C9APPESR2 | |
| SCHEMBL13408581 | 0.84 | FASN (0.46) | FASNCYP3A4CYP2C9APPESR2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018073159-A2 | LIQUID-CRYSTAL MEDIUM | MERCK PATENT GMBH (DE) | 2018-04-26 | — | — | WO | disclosed |