Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 2/20 | 0.47 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.44 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.44 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.39 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL929901 | 0.89 | NPC1 (0.48) | CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3 | |
| Trifluoroacetic Acid SCHEMBL1793721 | 0.86 | RAB9A (0.50) | CHRNA7CHRNB2CHRNA4TP53PDK2 | |
| SCHEMBL1793650 | 0.78 | PDK2 (0.39) | CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL928165 | 0.77 | NPC1 (0.49) | TP53NPC1RAB9APOLBKMT2A | |
| SCHEMBL930233 | 0.76 | CHRNA7 (0.52) | CHRNA7CHRNB2CHRNA4NPC1RAB9A | |
| SCHEMBL928002 | 0.74 | RAB9A (0.62) | TP53NPC1RAB9APOLB | |
| Trifluoroacetic Acid SCHEMBL15574936 | 0.74 | MAPT (0.54) | TP53NPC1RAB9APOLBKMT2A | |
| Trifluoroacetic Acid SCHEMBL1793487 | 0.70 | HDAC3 (0.39) | CHRNA7TP53PDK2NPC1RAB9A | |
| Trifluoroacetic Acid SCHEMBL2575652 | 0.70 | NPC1 (0.54) | CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3 | |
| Trifluoroacetic Acid SCHEMBL29878366 | 0.70 | KDM1A (0.51) | CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3 |
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 |