Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 2/20 | 0.47 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.47 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.47 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.47 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9409727 | 0.77 | CHRM2 (0.59) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL9409689 | 0.73 | PLA2G7 (0.42) | PLA2G7HDAC6ALDH1A1RECQL | |
| SCHEMBL24629827 | 0.73 | PLA2G7 (0.46) | CHRM2PLA2G7HDAC6ALDH1A1RECQL | |
| SCHEMBL9409697 | 0.71 | CHRM2 (0.45) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL9342263 | 0.69 | CHRM1 (0.46) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL414553 | 0.68 | F2 (0.48) | CHRM2CHRM3PLA2G7HDAC6ALDH1A1 | |
| SCHEMBL10797946 | 0.66 | PLA2G7 (0.46) | PLA2G7HDAC6ALDH1A1RECQL | |
| SCHEMBL7286903 | 0.66 | PLA2G7 (0.46) | PLA2G7HDAC6ALDH1A1RECQL | |
| SCHEMBL10968204 | 0.66 | PLA2G7 (0.46) | PLA2G7HDAC6ALDH1A1RECQL | |
| SCHEMBL4447273 | 0.66 | PLA2G7 (0.50) | PLA2G7HDAC6ALDH1A1RECQL |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0605393-A1 | Heterocyclic acetylenic amines having central nervous system activity | THE UPJOHN COMPANY (US) | 1994-07-06 | — | — | EP | disclosed |
| US-5225567-A | HETEROCYCLIC ACETYLENIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY | THE UPJOHN COMPANY (US) | 1993-07-06 | — | — | US | disclosed |
| US-5157124-A | Improving mental performance | THE UPJOHN COMPANY (US) | 1992-10-20 | — | — | US | disclosed |
| US-5137905-A | Cholinergic agonists; analgesics; cognition activators | THE UPJOHN COMPANY (US) | 1992-08-11 | — | — | US | disclosed |
| WO-1990004588-A1 | HETEROCYCLIC ACETYLENIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY | THE UPJOHN COMPANY (US) | 1990-05-03 | — | — | WO | disclosed |