Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 1/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.39 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.39 |
| ▸ | PPARA | Q07869 | 3/20 | 0.38 |
| ▸ | PPARG | P37231 | 2/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 5/20 | 0.35 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9223754 | 0.96 | RARB (0.40) | RARBDAOS1PR1S1PR3PPARA | |
| SCHEMBL9280702 | 0.92 | RARB (0.41) | RARBDAOS1PR1S1PR3PPARA | |
| SCHEMBL9226888 | 0.92 | RARB (0.41) | RARBDAOS1PR1S1PR3PPARA | |
| SCHEMBL8990612 | 0.91 | RARB (0.53) | RARBDAOS1PR1S1PR3PPARA | |
| SCHEMBL9221144 | 0.90 | RARB (0.45) | RARBS1PR1S1PR3PPARAPPARG | |
| SCHEMBL6059249 | 0.88 | AKR1C3 (0.38) | RARBDAOS1PR1S1PR3PPARA | |
| SCHEMBL8999562 | 0.88 | RARB (0.41) | RARBS1PR1S1PR3RAB9ACNR2 | |
| SCHEMBL9226880 | 0.88 | RARB (0.46) | RARBDAOS1PR1S1PR3PPARA | |
| SCHEMBL9223504 | 0.87 | RARB (0.51) | RARBS1PR1S1PR3PPARABACE1 | |
| SCHEMBL8990900 | 0.86 | DAO (0.41) | DAOPPARAPPARGBACE1ALDH1A1 |
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 |