Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 4/20 | 0.45 |
| ▸ | NMT1 | P30419 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 4/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.42 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.42 |
| ▸ | NOS3 | P29474 | 2/20 | 0.42 |
| ▸ | NOS2 | P35228 | 2/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.40 |
| ▸ | CHRNB3 | Q05901 | 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 | |
|---|---|---|---|---|
| SCHEMBL24466889 | 0.74 | CHRNB1 (0.53) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1 | |
| SCHEMBL4272566 | 0.73 | NOS1 (0.53) | NOS1CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL19001361 | 0.69 | CHRNB2 (0.58) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL19599660 | 0.67 | KDM4E (0.51) | NOS1NMT1NOS3NOS2KCNH2 | |
| SCHEMBL2691261 | 0.67 | SLC18A2 (0.70) | — | |
| SCHEMBL12090228 | 0.67 | HRH3 (0.53) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1 | |
| SCHEMBL7356165 | 0.66 | — | — | |
| SCHEMBL19376421 | 0.65 | CYP1A2 (0.57) | — | |
| SCHEMBL20232102 | 0.65 | MAPT (0.39) | CHRNB2CHRNA4 | |
| SCHEMBL29770146 | 0.65 | CHRNA3 (0.45) | CHRNB4CHRNA3 |
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-4006037-A1 | HETEROCYCLIC COMPOUND | Fimecs, Inc. (JP) | 2022-06-01 | — | — | EP | disclosed |