Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 3/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18247355 | 0.88 | HTT (0.36) | CHRNB2CHRNA4PKMCHRNB4CHRNA3 | |
| SCHEMBL25145141 | 0.87 | CHRNB2 (0.33) | CHRNB2CHRNA4PKMCHRNB4CHRNA3 | |
| Acetic Acid SCHEMBL28533752 | 0.84 | HPSE (0.35) | CHRNB2CHRNA4PKMCHRNB4CHRNA3 | |
| SCHEMBL13494272 | 0.75 | BTK (0.46) | — | |
| SCHEMBL32664394 | 0.75 | BTK (0.46) | — | |
| SCHEMBL25145131 | 0.71 | PKM (0.40) | CHRNB2CHRNA4PKMCHRNB4CHRNA3 | |
| SCHEMBL14428330 | 0.70 | PKM (0.42) | CHRNB2CHRNA4PKMCHRNB4CHRNA3 | |
| SCHEMBL18247761 | 0.70 | PKM (0.42) | CHRNB2CHRNA4PKMCHRNB4CHRNA3 | |
| SCHEMBL18247415 | 0.70 | CHRNB2 (0.49) | CHRNB2CHRNA4PKMCHRNB4CHRNA3 | |
| Acetic Acid SCHEMBL30325545 | 0.68 | HPSE (0.41) | CHRNB2CHRNA4PKMCHRNB4CHRNA3 |
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-2016185279-A1 | BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2016-11-24 | — | — | WO | disclosed |