Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.50 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 10/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 10/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 2/20 | 0.36 |
| ▸ | EGLN2 | Q96KS0 | 2/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.34 |
| ▸ | FNTA | P49354 | 1/20 | 0.33 |
| ▸ | FNTB | P49356 | 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 | |
|---|---|---|---|---|
| SCHEMBL83482 | 0.93 | ESR1 (0.44) | NQO1TRPV4ESR1ESR2CNR2 | |
| SCHEMBL30332317 | 0.86 | ESR1 (0.51) | TRPV4ESR1ESR2AREGLN2 | |
| SCHEMBL81244 | 0.81 | TRPV4 (0.58) | TRPV4ESR1ESR2AREGLN2 | |
| SCHEMBL14087817 | 0.77 | NQO1 (0.61) | NQO1ESR1ESR2CNR2 | |
| SCHEMBL14087818 | 0.77 | NQO1 (0.61) | NQO1ESR1ESR2CNR2AR | |
| SCHEMBL16748052 | 0.77 | ESR1 (0.47) | TRPV4ESR1ESR2AR | |
| SCHEMBL8063680 | 0.74 | ESR1 (0.53) | TRPV4ESR1ESR2AR | |
| SCHEMBL83469 | 0.74 | NQO1 (0.56) | NQO1ESR1ESR2CNR2 | |
| SCHEMBL83362 | 0.74 | NQO1 (0.56) | NQO1ESR1ESR2CNR2 | |
| SCHEMBL12840889 | 0.73 | TRPV4 (0.38) | TRPV4ESR1ESR2AREGLN2 |
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-8129002-B2 | Compounds for use in liquid crystal media | MERCK PATENT GMBH (DE) | 2012-03-06 | — | — | US | disclosed |
| US-7419706-B2 | Liquid crystalline medium | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2008-09-02 | — | — | US | disclosed |