Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RY6 | Q15077 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MIF | P14174 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 7/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | FURIN | P09958 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | ACACB | O00763 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28277119 | 0.85 | HAO1 (0.32) | ALDH1A1L3MBTL1APP | |
| SCHEMBL24184660 | 0.80 | CYP1A2 (0.46) | P2RY6ALDH1A1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL24184663 | 0.80 | CYP2C9 (0.46) | P2RY6CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL12437009 | 0.77 | THRB (0.48) | P2RY6ALDH1A1L3MBTL1FURINACACB | |
| SCHEMBL19031682 | 0.76 | P2RY6 (0.52) | P2RY6ALDH1A1MIFCA1CA2 | |
| SCHEMBL24184661 | 0.76 | NQO1 (0.50) | P2RY6ALDH1A1ACACB | |
| SCHEMBL19031673 | 0.73 | HSD17B10 (0.48) | P2RY6MIFCA1CA2 | |
| SCHEMBL24184976 | 0.72 | ACACB (0.49) | P2RY6ALDH1A1MIFACACB | |
| SCHEMBL5404636 | 0.72 | ALDH1A1 (0.54) | ALDH1A1L3MBTL1FURIN | |
| SCHEMBL5965422 | 0.72 | ALDH1A1 (0.49) | ALDH1A1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106978192-B | A kind of high birefringence rate liquid crystal compound and preparation method thereof with and combinations thereof | 西安近代化学研究所 | 2019-02-12 | — | — | CN | disclosed |