Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 9/20 | 0.61 |
| ▸ | CHRNA4 | P43681 | 9/20 | 0.61 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.52 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.52 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.52 |
| ▸ | CHRNA1 | P02708 | 2/20 | 0.52 |
| ▸ | CHRNG | P07510 | 2/20 | 0.52 |
| ▸ | CHRNB1 | P11230 | 2/20 | 0.52 |
| ▸ | CHRND | Q07001 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Acetonitrile SCHEMBL28168684 | 0.91 | CHRNB2 (0.52) | CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3 | |
| SCHEMBL28290847 | 0.77 | ADRB2 (0.53) | CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3 | |
| SCHEMBL2045230 | 0.77 | ALOX5 (0.50) | CHRNB2CHRNA4 | |
| SCHEMBL3061045 | 0.76 | CHRNB2 (1.00) | CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3 | |
| SCHEMBL5655866 | 0.75 | CHRNB2 (1.00) | CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3 | |
| SCHEMBL29507540 | 0.74 | CHRNB2 (0.87) | CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3 | |
| SCHEMBL3538787 | 0.74 | CHRNB2 (0.87) | CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3 | |
| SCHEMBL5335 | 0.74 | CHRNB2 (0.87) | CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3 | |
| SCHEMBL11401370 | 0.74 | ALOX5 (0.38) | CHRNB2CHRNA4 | |
| SCHEMBL3065598 | 0.73 | CHRNB2 (0.94) | CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106061950-B | The manufacturing method of pyrazole compound | 住友化学株式会社 | 2019-05-03 | — | — | CN | disclosed |
| CN-107074775-A | The preparation method of 3 (base of 3 chlorine 1H pyrazoles 1) pyridines | 美国陶氏益农公司 | 2017-08-18 | — | — | CN | disclosed |
| CN-106061950-A | Method for producing pyrazole compound | 住友化学株式会社 | 2016-10-26 | — | — | CN | disclosed |