Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | CES2 | O00748 | 2/20 | 0.34 |
| ▸ | CES1 | P23141 | 2/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.34 |
| ▸ | S1PR5 | Q9H228 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8918246 | 0.96 | KCNH2 (0.36) | NPC1RAB9APOLBABL1RIN1 | |
| SCHEMBL8917063 | 0.92 | NPC1 (0.37) | NPC1RAB9APOLBCES2CES1 | |
| SCHEMBL8073703 | 0.88 | KCNH2 (0.39) | POLBABL1RIN1KCNH2CES2 | |
| SCHEMBL8073707 | 0.86 | KCNH2 (0.41) | KCNH2CES2CES1S1PR5S1PR1 | |
| SCHEMBL8916925 | 0.85 | SPHK1 (0.31) | RAB9AKCNH2ALDH1A1MEN1KMT2A | |
| SCHEMBL8916577 | 0.84 | KDM4E (0.33) | NPC1RAB9APOLBAKR1C3AKR1C1 | |
| SCHEMBL8916794 | 0.84 | NPC1 (0.33) | NPC1RAB9APOLBAKR1C3AKR1C1 | |
| SCHEMBL8917942 | 0.81 | KCNH2 (0.33) | KCNH2MEN1KMT2A | |
| SCHEMBL7765261 | 0.80 | KCNH2 (0.32) | KCNH2 | |
| SCHEMBL7765269 | 0.80 | KCNH2 (0.32) | KCNH2 |
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-5595686-A | Silacyclohexane compounds, a liquid crystal composition comprising the same and a liquid crystal device comprising the composition | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1997-01-21 | — | — | US | disclosed |
| EP-0699683-A1 | Novel silacyclohexane compounds a liquid crystal composition comprising the same and a liquid crystal device comprising the composition | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1996-03-06 | — | — | EP | disclosed |