Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PSEN1 | P49768 | 2/20 | 0.44 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.44 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.44 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.44 |
| ▸ | APH1A | Q96BI3 | 2/20 | 0.44 |
| ▸ | PSENEN | Q9NZ42 | 2/20 | 0.44 |
| ▸ | APP | P05067 | 2/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.42 |
| ▸ | ALKBH3 | Q96Q83 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.41 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.39 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.38 |
| ▸ | AHR | P35869 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12696815 | 1.00 | PSEN1 (0.44) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL14559347 | 0.91 | PSEN1 (0.43) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL1133904 | 0.89 | PSEN1 (0.55) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL22055929 | 0.89 | ESR1 (0.46) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL13446768 | 0.85 | FEN1 (0.40) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL91941 | 0.85 | PTGES2 (0.41) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL803426 | 0.84 | PDE3B (0.48) | APPPTGS2PTGS1AKR1C3AKR1C2 | |
| SCHEMBL170493 | 0.84 | — | — | |
| SCHEMBL802682 | 0.83 | PTGS2 (0.46) | PTGS2PTGS1AKR1C3AKR1C2PDE3B | |
| SCHEMBL12826296 | 0.82 | NFE2L2 (0.47) | PTGS2PTGS1AKR1C3AKR1C2PDE3B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8906261-B2 | Liquid crystal medium containing thiophene derivatives | MERCK PATENT GMBH (DE) | 2014-12-09 | — | — | US | disclosed |
| US-8906261-B2 | Liquid crystal medium containing thiophene derivatives | MERCK PATENT GMBH (DE) | 2014-12-09 | — | — | US | disclosed |
| US-20130119312-A1 | LIQUID CRYSTAL MEDIUM CONTAINING THIOPHENE DERIVATIVES | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2013-05-16 | — | — | US | disclosed |