Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | APP | P05067 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.37 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.31 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.31 |
| ▸ | FASN | P49327 | 1/20 | 0.31 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.31 |
| ▸ | DRD1 | P21728 | 2/20 | 0.31 |
| ▸ | DRD5 | P21918 | 2/20 | 0.31 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.31 |
| ▸ | P2RY14 | Q15391 | 2/20 | 0.31 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13614962 | 0.89 | CYP3A4 (0.37) | CYP3A4CYP2C9APPCYP2D6CYP2C19 | |
| SCHEMBL13140806 | 0.88 | NPC1 (0.41) | CYP3A4CYP2C9APPCYP2D6CYP2C19 | |
| SCHEMBL19702996 | 0.86 | CYP3A4 (0.38) | CYP3A4CYP2C9APPCYP2D6CYP2C19 | |
| SCHEMBL19702995 | 0.86 | CYP3A4 (0.40) | CYP3A4CYP2C9APPCYP2D6CYP2C19 | |
| SCHEMBL10065877 | 0.84 | CYP3A4 (0.37) | CYP3A4CYP2C9APPCYP2D6CYP2C19 | |
| SCHEMBL19493506 | 0.84 | CYP3A4 (0.43) | CYP3A4CYP2C9APPCYP2D6CYP2C19 | |
| SCHEMBL802781 | 0.84 | CYP3A4 (0.43) | CYP3A4CYP2C9APPCYP2D6CYP2C19 | |
| SCHEMBL19844711 | 0.84 | SLC6A3 (0.40) | CYP3A4CYP2C9APP | |
| SCHEMBL21741418 | 0.84 | CYP3A4 (0.54) | CYP3A4CYP2C9APPCYP2D6CYP2C19 | |
| SCHEMBL8728184 | 0.83 | CYP3A4 (0.36) | CYP3A4CYP2C9APPCYP2D6CYP2C19 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10344211-B2 | Liquid crystal composition and liquid crystal display element using same | DIC CORPORATION (JP) | 2019-07-09 | — | — | US | disclosed |
| US-20170355906-A1 | LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME | DIC CORPORATION (JP) | 2017-12-14 | — | — | US | disclosed |
| US-20170355906-A1 | LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME | DIC CORPORATION (JP) | 2017-12-14 | — | — | US | disclosed |
| EP-2116522-A1 | PENTACYCLIC LIQUID CRYSTAL COMPOUND HAVING CF<SB>2</SB>O BONDING GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY | Chisso Corporation (JP) | 2009-11-11 | — | — | EP | disclosed |