Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | CETP | P11597 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9224031 | 0.91 | CNR1 (0.39) | SLC6A3SLC6A4SLC6A2CETPOPRM1 | |
| SCHEMBL9355631 | 0.82 | SIGMAR1 (0.43) | SLC6A3SLC6A4SLC6A2HTTOPRM1 | |
| SCHEMBL9061858 | 0.81 | ALDH1A1 (0.40) | SLC6A3SLC6A4SLC6A2MEN1ALDH1A1 | |
| SCHEMBL8048831 | 0.79 | SLC6A3 (0.37) | SLC6A3SLC6A4SLC6A2CETPHDAC4 | |
| SCHEMBL9359055 | 0.78 | CYP2C9 (0.45) | SLC6A3SLC6A4SLC6A2CETPOPRK1 | |
| SCHEMBL9356351 | 0.77 | SLC6A4 (0.40) | SLC6A3SLC6A4SLC6A2CETPMEN1 | |
| SCHEMBL28227454 | 0.77 | SLC6A3 (0.40) | SLC6A3SLC6A4SLC6A2CETPHDAC4 | |
| SCHEMBL8578739 | 0.74 | NCOA1 (0.39) | SLC6A3SLC6A4SLC6A2HTTOPRM1 | |
| SCHEMBL10612019 | 0.72 | CNR1 (0.43) | SLC6A3SLC6A4SLC6A2HTTCETP | |
| SCHEMBL28984526 | 0.72 | ALDH1A1 (0.39) | SLC6A3SLC6A4SLC6A2CETPALDH1A1 |
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-5837162-A | CYCLIC ETHERS FOR LIQUID CRYSTAL DISPLAYS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-11-17 | — | — | US | disclosed |
| US-5626793-A | Liquid-crystalline compounds | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1997-05-06 | — | — | US | disclosed |