Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 1/20 | 0.45 |
| ▸ | SPHK1 | Q9NYA1 | 13/20 | 0.43 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.39 |
| ▸ | SPHK2 | Q9NRA0 | 7/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8411106 | 0.99 | RARB (0.43) | RARBSPHK1FFAR4SPHK2CYP3A4 | |
| SCHEMBL8411100 | 0.99 | RARB (0.43) | RARBSPHK1FFAR4SPHK2CYP3A4 | |
| SCHEMBL8990825 | 0.96 | RARB (0.41) | RARBSPHK1FFAR4SPHK2CYP3A4 | |
| SCHEMBL9664858 | 0.93 | RARB (0.46) | RARBSPHK1FFAR4SPHK2CYP3A4 | |
| SCHEMBL10943636 | 0.93 | RARB (0.49) | RARBSPHK1FFAR4SPHK2 | |
| SCHEMBL10943630 | 0.93 | RARB (0.49) | RARBSPHK1FFAR4SPHK2 | |
| SCHEMBL9662921 | 0.93 | RARB (0.44) | RARBSPHK1FFAR4SPHK2CYP3A4 | |
| SCHEMBL9665285 | 0.93 | RARB (0.49) | RARBSPHK1FFAR4SPHK2 | |
| SCHEMBL8997295 | 0.93 | CYP3A4 (0.40) | RARBSPHK1CYP3A4CYP2C9 | |
| SCHEMBL8997301 | 0.93 | CYP3A4 (0.40) | RARBSPHK1CYP3A4CYP2C9 |
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-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 |