Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.43 |
| ▸ | SYK | P43405 | 5/20 | 0.42 |
| ▸ | ABL1 | P00519 | 2/20 | 0.39 |
| ▸ | MPO | P05164 | 2/20 | 0.38 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.38 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 2/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.37 |
| ▸ | ACACB | O00763 | 1/20 | 0.37 |
| ▸ | ACACA | Q13085 | 1/20 | 0.37 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL2486287 | 1.00 | KCNH2 (0.43) | KCNH2CHRNA7SYKABL1MPO | |
| Trifluoroacetic Acid SCHEMBL989901 | 0.88 | KCNH2 (0.41) | KCNH2CHRNA7SYKMPOKAT2B | |
| Trifluoroacetic Acid SCHEMBL989899 | 0.88 | KCNH2 (0.41) | KCNH2CHRNA7SYKMPOKAT2B | |
| SCHEMBL743913 | 0.78 | KCNH2 (0.47) | KCNH2CHRNA7SYKMPOKAT2B | |
| SCHEMBL743914 | 0.78 | KCNH2 (0.47) | KCNH2CHRNA7SYKMPOKAT2B | |
| Trifluoroacetic Acid SCHEMBL1110329 | 0.77 | MPO (0.38) | KCNH2CHRNA7MPOKDM4CCHEK1 | |
| Trifluoroacetic Acid SCHEMBL764686 | 0.75 | CHRNA7 (0.44) | KCNH2CHRNA7MPOKDM4C | |
| Trifluoroacetic Acid SCHEMBL744720 | 0.75 | CHRNA7 (0.47) | KCNH2CHRNA7SYKGSK3BDYRK1A | |
| SCHEMBL743838 | 0.72 | PIP4K2A (0.48) | KCNH2CHRNA7MPOKAT2BGSK3B | |
| SCHEMBL743837 | 0.72 | PIP4K2A (0.48) | KCNH2CHRNA7MPOKAT2BGSK3B |
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-2018380-B1 | Cns active fused bicycloheterocycle substituted azabicyclic alkane derivatives | ABBOTT LAB (US) | 2011-10-19 | — | — | EP | disclosed |