Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 18/20 | 0.77 |
| ▸ | CHRNA3 | P32297 | 18/20 | 0.77 |
| ▸ | CHRNA4 | P43681 | 18/20 | 0.77 |
| ▸ | CHRNB4 | P30926 | 13/20 | 0.77 |
| ▸ | CHRNA7 | P36544 | 13/20 | 0.77 |
| ▸ | CHRNB3 | Q05901 | 5/20 | 0.47 |
| ▸ | CHRNA6 | Q15825 | 5/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1711180 | 0.88 | CHRNB2 (1.00) | CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7 | |
| SCHEMBL1711592 | 0.88 | CHRNB2 (1.00) | CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7 | |
| SCHEMBL1711532 | 0.88 | CHRNB2 (1.00) | CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7 | |
| SCHEMBL12069673 | 0.85 | CHRNB2 (0.71) | CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7 | |
| SCHEMBL1711199 | 0.84 | CHRNB2 (0.87) | CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7 | |
| SCHEMBL1711336 | 0.84 | CHRNB2 (0.87) | CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7 | |
| SCHEMBL1711084 | 0.84 | CHRNB2 (0.87) | CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7 | |
| SCHEMBL1711127 | 0.77 | CHRNB2 (0.73) | CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7 | |
| SCHEMBL1711449 | 0.77 | CHRNB2 (0.73) | CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7 | |
| SCHEMBL1711218 | 0.77 | CHRNB2 (0.73) | CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7 |
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-8623857-B2 | N-phenyl imidazole carboxamide inhibitors of 3-phosphoinositide-dependent protein kinase-1 | MERCK SHARP & DOHME CORP. (US) | 2014-01-07 | — | — | US | disclosed |