Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 2/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 2/20 | 0.38 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | BACE1 | P56817 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL930250 | 0.90 | ACHE (0.45) | NPC1RAB9ACHRNA7BCHEACHE | |
| SCHEMBL3391905 | 0.73 | ACHE (0.49) | NPC1RAB9ACHRNA7BCHEACHE | |
| SCHEMBL2677267 | 0.71 | ACHE (0.47) | NPC1RAB9ABCHEACHEBACE1 | |
| Trifluoroacetic Acid SCHEMBL1793721 | 0.70 | RAB9A (0.50) | NPC1TP53RAB9AHSD17B10CHRNA7 | |
| Trifluoroacetic Acid SCHEMBL1793643 | 0.70 | CHRNA7 (0.47) | NPC1TP53RAB9AKMT2ACHRNA7 | |
| SCHEMBL930233 | 0.67 | CHRNA7 (0.52) | NPC1RAB9ACHRNA7BCHEACHE | |
| SCHEMBL406927 | 0.66 | ACHE (0.56) | MEN1NPC1RAB9AKMT2AHSD17B10 | |
| SCHEMBL929426 | 0.66 | CHRNA7 (0.64) | MEN1NPC1TP53RAB9AKMT2A | |
| SCHEMBL408423 | 0.64 | ALDH1A1 (0.50) | MEN1NPC1RAB9AKMT2AHSD17B10 | |
| SCHEMBL2124990 | 0.63 | ACHE (0.49) | NPC1RAB9AKMT2ACHRNA7BCHE |
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-2316836-A1 | Substituted diazabicycloalkane derivatives as ligands at alpha 7 nicotinic acetylcholine receptors | Abbott Laboratories (US) | 2011-05-04 | — | — | EP | disclosed |