Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 4/20 | 0.38 |
| ▸ | S1PR5 | Q9H228 | 4/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.31 |
| ▸ | LSS | P48449 | 2/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9689054 | 0.70 | CHRNB2 (0.50) | CHRNB2CHRNA7CHRNA4S1PR1S1PR3 | |
| SCHEMBL25889592 | 0.69 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL21207059 | 0.67 | OPRM1 (0.31) | ALDH1A1 | |
| SCHEMBL29497729 | 0.67 | CYP1A2 (0.33) | CHRNB2CHRNA7CHRNA4S1PR1S1PR3 | |
| SCHEMBL14539275 | 0.66 | S1PR1 (0.56) | CHRNB2CHRNA7CHRNA4S1PR1S1PR3 | |
| SCHEMBL294038 | 0.66 | S1PR1 (0.56) | CHRNB2CHRNA7CHRNA4S1PR1S1PR3 | |
| SCHEMBL28123239 | 0.66 | S1PR1 (0.56) | CHRNB2CHRNA7CHRNA4S1PR1S1PR3 | |
| SCHEMBL22363289 | 0.66 | S1PR1 (0.56) | CHRNB2CHRNA7CHRNA4S1PR1S1PR3 | |
| SCHEMBL22363324 | 0.66 | S1PR1 (0.56) | CHRNB2CHRNA7CHRNA4S1PR1S1PR3 | |
| SCHEMBL27826292 | 0.66 | CHRNB2 (0.53) | CHRNB2CHRNA7CHRNA4S1PR1S1PR3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017180923-A1 | LIQUID CRYSTAL COMPOSITIONS, MIXTURES, ELEMENTS, AND DIMMABLE DEVICES | NITTO DENKO CORPORATION (JP) | 2017-10-19 | — | — | WO | disclosed |