Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FASN | P49327 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | APP | P05067 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2741531 | 0.98 | FASN (0.47) | FASNCYP3A4CYP2C9APPCYP2D6 | |
| SCHEMBL91987 | 0.98 | FASN (0.47) | FASNCYP3A4CYP2C9APPCYP2D6 | |
| SCHEMBL12856683 | 0.94 | FASN (0.45) | FASNCYP3A4CYP2C9APPCYP2D6 | |
| SCHEMBL19493506 | 0.93 | CYP3A4 (0.43) | FASNCYP3A4CYP2C9APPCYP2D6 | |
| SCHEMBL802781 | 0.93 | CYP3A4 (0.43) | FASNCYP3A4CYP2C9APPCYP2D6 | |
| SCHEMBL19131874 | 0.93 | FASN (0.41) | FASNCYP3A4CYP2C9APPCYP2D6 | |
| SCHEMBL12377041 | 0.91 | FASN (0.49) | FASNCYP3A4CYP2C9APPCYP2D6 | |
| SCHEMBL19820865 | 0.91 | FASN (0.45) | FASNCYP3A4CYP2C9APPCYP2D6 | |
| SCHEMBL20428180 | 0.90 | FASN (0.42) | FASNCYP3A4CYP2C9APPCYP2D6 | |
| SCHEMBL18503371 | 0.90 | CYP3A4 (0.45) | FASNCYP3A4CYP2C9APPCYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-20130037745-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2013-02-14 | — | — | US | disclosed |
| US-7704566-B2 | Liquid crystalline medium | MERCK PATENT GMBH (DE) | 2010-04-27 | — | — | US | disclosed |