Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL22180829 | 0.74 | BRD4 (0.40) | HRH4HRH3CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL7940932 | 0.72 | QPCT (0.48) | HRH4HRH3CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL22216732 | 0.65 | CYP11B2 (0.40) | CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL17039182 | 0.64 | — | — | |
| SCHEMBL30707445 | 0.63 | CHRM5 (0.50) | HRH4HRH3 | |
| SCHEMBL9029883 | 0.62 | CHRM2 (0.60) | — | |
| SCHEMBL9030776 | 0.61 | QPCT (0.37) | — | |
| SCHEMBL17392917 | 0.61 | — | — | |
| SCHEMBL17036497 | 0.60 | SLC6A1 (0.37) | HRH4HRH3 | |
| SCHEMBL9030772 | 0.60 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0426714-B1 | ACETYLENIC IMIDAZOLES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY | UPJOHN CO (US) | 1996-04-03 | — | — | EP | disclosed |
| US-5100909-A | Cholinergic antagonists, analgesics, treatment of Alzheimer*s disease | THE UPJOHN COMPANY (US) | 1992-03-31 | — | — | US | disclosed |
| EP-0426714-A1 | ACETYLENIC IMIDAZOLES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY. | UPJOHN CO (US) | 1991-05-15 | — | — | EP | disclosed |
| WO-1990001026-A1 | ACETYLENIC IMIDAZOLES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY | THE UPJOHN COMPANY (US) | 1990-02-08 | — | — | WO | disclosed |