Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 2/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9826239 | 0.73 | — | — | |
| SCHEMBL18326354 | 0.69 | ALDH1A1 (0.39) | — | |
| SCHEMBL9409667 | 0.64 | CHRM2 (0.36) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL9826681 | 0.62 | CHRM1 (0.33) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL9409692 | 0.61 | CHRM2 (0.36) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL12590734 | 0.58 | — | — | |
| SCHEMBL7704608 | 0.55 | — | — | |
| SCHEMBL6561465 | 0.55 | — | — | |
| SCHEMBL9827360 | 0.54 | ADORA2B (0.41) | — | |
| SCHEMBL26474088 | 0.54 | ALDH1A1 (0.38) | — |
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-0440670-A1 | HETEROCYCLIC ACETYLENIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY. | UPJOHN CO (US) | 1991-08-14 | — | — | EP | claimed |