Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | AOC1 | P19801 | 4/20 | 0.35 |
| ▸ | AOC3 | Q16853 | 4/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.33 |
| ▸ | SOST | Q9BQB4 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7547886 | 0.74 | CHRNB2 (0.46) | CHRNB2CHRNA4 | |
| SCHEMBL7545392 | 0.74 | CHRNB2 (0.46) | CHRNB2CHRNA4 | |
| SCHEMBL14348157 | 0.74 | CYP11B1 (0.38) | CYP11B1CYP11B2AOC1AOC3SLC6A2 | |
| SCHEMBL7548604 | 0.73 | NPC1 (0.41) | CHRNB2CHRNA4 | |
| SCHEMBL13838557 | 0.71 | CYP11B1 (0.43) | CYP11B1CYP11B2SLC6A2SLC6A4HDAC1 | |
| SCHEMBL7548586 | 0.68 | MEN1 (0.38) | — | |
| SCHEMBL18022521 | 0.68 | CYP11B1 (0.41) | CYP11B1CYP11B2AOC1AOC3SOST | |
| SCHEMBL12462737 | 0.67 | HDAC1 (0.40) | CYP11B1CYP11B2SLC6A2SLC6A4HDAC1 | |
| SCHEMBL9138822 | 0.67 | — | — | |
| SCHEMBL21444695 | 0.65 | TAAR1 (0.57) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1212301-A1 | ARYLALKYLOXYALKYLAMINES AND ARYLALKYLTHIOALKYLAMINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS INHIBITORS OF NICOTINIC CHOLINERGIC RECEPTORS | Targacept, Inc. (US) | 2002-06-12 | — | — | EP | disclosed |
| WO-2001016107-A1 | ARYLALKYLOXYALKYLAMINES AND ARYLALKYLTHIOALKYLAMINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS INHIBITORS OF NICOTINIC CHOLINERGIC RECEPTORS | TARGACEPT, INC. (US) | 2001-03-08 | — | — | WO | disclosed |