Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA1 | P02708 | 1/20 | 0.57 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.57 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.57 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.57 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.56 |
| ▸ | CHEK1 | O14757 | 11/20 | 0.53 |
| ▸ | CDK2AP1 | O14519 | 2/20 | 0.53 |
| ▸ | UTS2R | Q9UKP6 | 2/20 | 0.51 |
| ▸ | DHPS | P49366 | 1/20 | 0.47 |
| ▸ | KDM1A | O60341 | 1/20 | 0.46 |
| ▸ | HTR3A | P46098 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL18264114 | 1.00 | CHRNA1 (0.57) | CHRNA1CHRNB2CHRNB4CHRNA4CHRNA7 | |
| SCHEMBL18264057 | 0.91 | CHRNA1 (0.57) | CHRNA1CHRNB2CHRNB4CHRNA4CHRNA7 | |
| SCHEMBL18264055 | 0.91 | CHRNA1 (0.57) | CHRNA1CHRNB2CHRNB4CHRNA4CHRNA7 | |
| SCHEMBL18264045 | 0.84 | CHRNA1 (0.59) | CHRNA1CHRNB2CHRNB4CHRNA4CHRNA7 | |
| SCHEMBL18264044 | 0.84 | CHRNA1 (0.59) | CHRNA1CHRNB2CHRNB4CHRNA4CHRNA7 | |
| SCHEMBL18263991 | 0.84 | CHRNA1 (0.65) | CHRNA1CHRNB2CHRNB4CHRNA4CHRNA7 | |
| SCHEMBL18270695 | 0.84 | CHRNA1 (0.59) | CHRNA1CHRNB2CHRNB4CHRNA4CHRNA7 | |
| SCHEMBL18263989 | 0.84 | CHRNA1 (0.65) | CHRNA1CHRNB2CHRNB4CHRNA4CHRNA7 | |
| SCHEMBL13303601 | 0.83 | CHRNA1 (0.69) | CHRNA1CHRNB2CHRNB4CHRNA4CHRNA7 | |
| SCHEMBL18270647 | 0.83 | CHRNA1 (0.69) | CHRNA1CHRNB2CHRNB4CHRNA4CHRNA7 |
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-2016191366-A1 | MODULATORS FOR NICOTINIC ACETYLCHOLINE RECEPTOR α2 AND α4 SUBUNITS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2016-12-01 | — | — | WO | disclosed |