Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.44 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.44 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.44 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | PPM1B | O75688 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | PPP1CC | P36873 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17106375 | 1.00 | CHRNB2 (0.44) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL17106372 | 1.00 | CHRNB2 (0.44) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL17106368 | 1.00 | CHRNB2 (0.44) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL13339494 | 1.00 | CHRNB2 (0.44) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL19250515 | 0.86 | CHRNB2 (0.56) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL818581 | 0.85 | CHRNB2 (0.42) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL14950676 | 0.85 | CHRNB2 (0.42) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL24906947 | 0.84 | CHRNB2 (0.52) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL13738413 | 0.84 | CHRNB2 (0.52) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL2824374 | 0.84 | CHRNB2 (0.52) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 |
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-2010062415-A1 | NITROOXY CYCLOALKANE DERIVATIVES | MERCK SHARP & DOHME CORP. (US) | 2010-06-03 | — | — | WO | disclosed |