Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.30 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.30 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL103323 | 0.86 | FFAR1 (0.31) | — | |
| SCHEMBL103315 | 0.85 | CHRNB2 (0.41) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL17445755 | 0.85 | ICAM1 (0.36) | — | |
| SCHEMBL17897412 | 0.81 | PTGDR2 (0.35) | PTPN1 | |
| SCHEMBL13655356 | 0.79 | CHRNB2 (0.41) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL17897413 | 0.73 | ALDH1A1 (0.50) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL102853 | 0.73 | TDP1 (0.39) | — | |
| SCHEMBL13774490 | 0.73 | KMT2A (0.42) | — | |
| SCHEMBL103531 | 0.73 | PTGS2 (0.35) | PTGS2 | |
| SCHEMBL19627290 | 0.73 | MAPT (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20160194561-A1 | DIFLUOROPHENYL LIQUID CRYSTAL COMPOSITION | DIC CORPORATION (JP) | 2016-07-07 | — | — | US | disclosed |