Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 3/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL8436865 | 0.91 | CNR1 (0.35) | SLC6A2SLC6A4SLC6A3CNR1ALDH1A1 | |
| SCHEMBL8436860 | 0.91 | CNR1 (0.35) | SLC6A2SLC6A4SLC6A3CNR1ALDH1A1 | |
| SCHEMBL8436863 | 0.91 | CNR1 (0.35) | SLC6A2SLC6A4SLC6A3CNR1ALDH1A1 | |
| SCHEMBL8977283 | 0.82 | MAOB (0.50) | MAOB | |
| SCHEMBL8019285 | 0.81 | CYP17A1 (0.37) | CNR1MAOB | |
| SCHEMBL8019284 | 0.81 | CYP17A1 (0.37) | CNR1MAOB | |
| SCHEMBL8019283 | 0.81 | CYP17A1 (0.37) | CNR1MAOB | |
| SCHEMBL21581480 | 0.80 | SLC6A2 (0.41) | SLC6A2SLC6A4SLC6A3CNR1ALDH1A1 | |
| SCHEMBL16191333 | 0.80 | ALDH1A1 (0.46) | SLC6A2SLC6A4SLC6A3ALDH1A1HTT | |
| SCHEMBL21581481 | 0.79 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3CNR1ALDH1A1 |
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-0657460-B1 | A silacyclohexane compound, a method of prepraring it and a liquid crystal composition containing it | SHINETSU CHEMICAL CO (JP) | 2000-04-12 | — | — | EP | disclosed |
| US-5496501-A | Silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1996-03-05 | — | — | US | disclosed |
| EP-0657460-A1 | A silacyclohexane compound, a method of prepraring it and a liquid crystal composition containing it | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1995-06-14 | — | — | EP | disclosed |