Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 6/20 | 0.61 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.50 |
| ▸ | RARA | P10276 | 1/20 | 0.48 |
| ▸ | RARG | P13631 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | CTRC | Q99895 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | IGF1R | P08069 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | GPR3 | P46089 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.41 |
| ▸ | TACR2 | P21452 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8375670 | 0.99 | RARB (0.59) | RARBKCNH2RARARARGHTR2A | |
| SCHEMBL8857747 | 0.97 | RARB (0.60) | RARBKCNH2RARARARGHTR2A | |
| SCHEMBL8857746 | 0.97 | RARB (0.60) | RARBKCNH2RARARARGHTR2A | |
| SCHEMBL8857743 | 0.96 | RARB (0.58) | RARBKCNH2RARARARGHTR2A | |
| SCHEMBL8990757 | 0.94 | RARB (0.53) | RARBKCNH2RARARARGCTRC | |
| SCHEMBL17586078 | 0.93 | RARB (0.55) | RARBKCNH2RARARARGHTR2A | |
| SCHEMBL9663360 | 0.93 | RARB (0.68) | RARBRARARARGHTR2AHSD17B10 | |
| SCHEMBL9662941 | 0.93 | RARB (0.68) | RARBRARARARGHTR2AHSD17B10 | |
| SCHEMBL9664210 | 0.93 | RARB (0.68) | RARBRARARARGHTR2AHSD17B10 | |
| SCHEMBL9662785 | 0.93 | RARB (0.68) | RARBRARARARGHTR2AHSD17B10 |
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-5496499-A | Biphenylethanes and liquid-crystalline phase | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1996-03-05 | — | — | US | disclosed |
| EP-0429558-B1 | DIPHENYLYLETHANES AND LIQUID CRYSTALLINE PHASE | MERCK PATENT GMBH (DE) | 1994-03-30 | — | — | EP | disclosed |
| WO-1990008757-A1 | DIPHENYLYLETHANES AND LIQUID CRYSTALLINE PHASE | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1990-08-09 | — | — | WO | disclosed |