Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 10/20 | 0.54 |
| ▸ | RARA | P10276 | 2/20 | 0.54 |
| ▸ | RARG | P13631 | 1/20 | 0.54 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.48 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | CTRC | Q99895 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MTOR | P42345 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7764845 | 0.95 | RARB (0.59) | RARBRARARARGAKR1C2AKR1C1 | |
| SCHEMBL7772878 | 0.90 | RARB (0.46) | RARBRARARARGAKR1C2AKR1C1 | |
| SCHEMBL30466107 | 0.88 | RARB (0.47) | RARBRARARARGAKR1C2AKR1C1 | |
| SCHEMBL8857916 | 0.88 | RARB (0.47) | RARBRARARARGAKR1C2AKR1C1 | |
| SCHEMBL3162001 | 0.88 | RARB (0.46) | RARBRARARARGAKR1C2AKR1C1 | |
| SCHEMBL7770631 | 0.87 | TAAR1 (0.42) | RARBRARARARGKCNH2HTR2A | |
| SCHEMBL8448249 | 0.86 | RARB (0.45) | RARBRARARARGAKR1C2AKR1C1 | |
| SCHEMBL8448252 | 0.86 | RARB (0.45) | RARBRARARARGAKR1C2AKR1C1 | |
| SCHEMBL3152588 | 0.86 | RARB (0.44) | RARBRARARARGAKR1C2AKR1C1 | |
| SCHEMBL9329602 | 0.85 | RARB (0.57) | RARBRARARARGAKR1C2AKR1C1 |
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 |