Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 11/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 11/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 11/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 8/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MLNR | O43193 | 1/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 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 | |
|---|---|---|---|---|
| SCHEMBL8517531 | 1.00 | SLC6A2 (0.42) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL9313013 | 1.00 | SLC6A2 (0.42) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL8517534 | 1.00 | SLC6A2 (0.42) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL9313008 | 1.00 | SLC6A2 (0.42) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL8518669 | 0.88 | OPRL1 (0.34) | SLC6A2SLC6A4SLC6A3ESR2 | |
| SCHEMBL8518672 | 0.88 | OPRL1 (0.34) | SLC6A2SLC6A4SLC6A3ESR2 | |
| SCHEMBL8518671 | 0.88 | OPRL1 (0.34) | SLC6A2SLC6A4SLC6A3ESR2 | |
| SCHEMBL8518668 | 0.88 | OPRL1 (0.34) | SLC6A2SLC6A4SLC6A3ESR2 | |
| SCHEMBL8518665 | 0.88 | OPRL1 (0.34) | SLC6A2SLC6A4SLC6A3ESR2 | |
| SCHEMBL8517404 | 0.88 | CYP2D6 (0.39) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0475273-B1 | Liquid crystal mixture containing halogenated alcenyl compounds | MERCK PATENT GMBH (DE) | 1999-04-07 | — | — | EP | disclosed |
| US-5292452-A | Electrooptical devices; high dielectric anisotropy, low rotation viscosity, short response time | HOFFMANN-LA ROCHE INC. (US) | 1994-03-08 | — | — | US | disclosed |
| EP-0475273-A1 | Halogenated alcenyl compounds | F. HOFFMANN-LA ROCHE AG (CH) | 1992-03-18 | — | — | EP | disclosed |