Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC18A3 | Q16572 | 7/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | APEX1 | P27695 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL779924 | 1.00 | SLC18A3 (0.55) | SLC18A3CYP2D6CYP2C19SIGMAR1TSHR | |
| SCHEMBL10347924 | 1.00 | SLC18A3 (0.55) | SLC18A3CYP2D6CYP2C19SIGMAR1TSHR | |
| Biphenyl SCHEMBL10346569 | 0.93 | SLC18A3 (0.57) | SLC18A3CYP2D6CYP2C19SIGMAR1TSHR | |
| SCHEMBL29215625 | 0.93 | SLC18A3 (0.57) | SLC18A3CYP2D6CYP2C19SIGMAR1TSHR | |
| SCHEMBL6297980 | 0.87 | SLC18A3 (0.49) | SLC18A3CYP2D6CYP2C19SIGMAR1TSHR | |
| SCHEMBL11028375 | 0.87 | SLC18A3 (0.49) | SLC18A3CYP2D6CYP2C19SIGMAR1TSHR | |
| SCHEMBL6297981 | 0.87 | SLC18A3 (0.49) | SLC18A3CYP2D6CYP2C19SIGMAR1TSHR | |
| SCHEMBL18573681 | 0.86 | HTT (0.48) | CYP2D6SMN1; SMN2CYP2C9ALDH1A1CYP11B2 | |
| SCHEMBL42833 | 0.85 | SLC18A3 (0.63) | SLC18A3CYP2D6CYP2C19SIGMAR1TSHR | |
| SCHEMBL19198566 | 0.85 | SLC18A3 (0.63) | SLC18A3CYP2D6CYP2C19SIGMAR1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0062470-B1 | LIQUID CRYSTAL BENZENE DERIVATIVES | Chisso Corporation (JP) | 1984-08-15 | — | — | EP | claimed |
| EP-0062470-A1 | Liquid crystal benzene derivatives | Chisso Corporation (JP) | 1982-10-13 | — | — | EP | claimed |