Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 12/20 | 0.50 |
| ▸ | HTR3A | P46098 | 5/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.39 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.38 |
| ▸ | TACR2 | P21452 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20661376 | 0.91 | CHRNA7 (0.50) | CHRNA7HTR3AOPRM1PIN1L3MBTL1 | |
| SCHEMBL21417015 | 0.84 | CHRNA7 (0.52) | CHRNA7HTR3AHDAC1OPRM1HDAC3 | |
| SCHEMBL21417016 | 0.82 | CHRNA7 (0.54) | CHRNA7HDAC1OPRM1HDAC3HDAC4 | |
| SCHEMBL21417023 | 0.80 | CHRNA7 (0.53) | CHRNA7HTR3AHDAC1HDAC3HDAC4 | |
| SCHEMBL21417305 | 0.76 | HDAC3 (0.59) | CHRNA7HTR3AHDAC1HDAC3HDAC4 | |
| SCHEMBL21417331 | 0.75 | CHRNA7 (0.52) | CHRNA7HTR3AHDAC1OPRM1HDAC3 | |
| SCHEMBL21417005 | 0.74 | CHRNA7 (0.55) | CHRNA7HTR3A | |
| SCHEMBL21416981 | 0.73 | CHRNA7 (0.54) | CHRNA7HTR3AHDAC1OPRM1HDAC3 | |
| SCHEMBL21417242 | 0.72 | CHRNA7 (0.47) | CHRNA7HTR3A | |
| SCHEMBL21417045 | 0.72 | CHRNA7 (0.47) | CHRNA7HTR3AHDAC8 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3233087-B1 | GEMINAL SUBSTITUTED QUINUCLIDINE AMIDE COMPOUNDS AS AGONISTS OF ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTORS | AXOVANT SCIENCES GMBH (DE) | 2019-10-02 | — | — | EP | disclosed |