Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA1 | P02708 | 1/20 | 0.59 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.59 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.59 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.59 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.55 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.55 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.55 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.55 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.55 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.55 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.55 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.55 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.55 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.55 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.55 |
| ▸ | CHRNA7 | P36544 | 4/20 | 0.53 |
| ▸ | CHEK1 | O14757 | 8/20 | 0.52 |
| ▸ | CDK2AP1 | O14519 | 3/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL18270654 | 0.91 | CHRNA1 (0.59) | CHRNA1CHRNB2CHRNB4CHRNA4HDAC3 | |
| SCHEMBL18263991 | 0.86 | CHRNA1 (0.65) | CHRNA1CHRNB2CHRNB4CHRNA4CHRNA7 | |
| SCHEMBL18263989 | 0.86 | CHRNA1 (0.65) | CHRNA1CHRNB2CHRNB4CHRNA4CHRNA7 | |
| SCHEMBL18264044 | 0.86 | CHRNA1 (0.59) | CHRNA1CHRNB2CHRNB4CHRNA4CHRNA7 | |
| SCHEMBL18264045 | 0.86 | CHRNA1 (0.59) | CHRNA1CHRNB2CHRNB4CHRNA4CHRNA7 | |
| SCHEMBL18264054 | 0.86 | CHRNA1 (0.56) | CHRNA1CHRNB2CHRNB4CHRNA4CHRNA7 | |
| SCHEMBL18264051 | 0.86 | CHRNA1 (0.56) | CHRNA1CHRNB2CHRNB4CHRNA4CHRNA7 | |
| SCHEMBL13303601 | 0.85 | CHRNA1 (0.69) | CHRNA1CHRNB2CHRNB4CHRNA4HDAC3 | |
| SCHEMBL18270647 | 0.85 | CHRNA1 (0.69) | CHRNA1CHRNB2CHRNB4CHRNA4HDAC3 | |
| SCHEMBL18264114 | 0.84 | CHRNA1 (0.57) | 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 |