Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.46 |
| ▸ | CHRNA7 | P36544 | 5/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.43 |
| ▸ | CA12 | O43570 | 6/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.33 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 6/20 | 0.32 |
| ▸ | WNT1 | P04628 | 1/20 | 0.31 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL744850 | 0.82 | KDM1A (0.53) | KDM1ACHRNA7KCNH2CA12BRD4 | |
| SCHEMBL747584 | 0.82 | KDM1A (0.53) | KDM1ACHRNA7KCNH2CA12BRD4 | |
| SCHEMBL2485906 | 0.74 | KDM1A (0.55) | KDM1ACHRNA7KCNH2CA12ENPP1 | |
| SCHEMBL2485905 | 0.74 | KDM1A (0.55) | KDM1ACHRNA7KCNH2CA12ENPP1 | |
| SCHEMBL990816 | 0.67 | KCNH2 (0.41) | KDM1ACHRNA7KCNH2BRD4CREBBP | |
| SCHEMBL20924210 | 0.66 | KDM1A (0.70) | KDM1ACHRNA7KCNH2CA12BRD4 | |
| SCHEMBL745763 | 0.66 | CHRNA7 (0.53) | KDM1ACHRNA7KCNH2BRD4CREBBP | |
| SCHEMBL745762 | 0.66 | CHRNA7 (0.53) | KDM1ACHRNA7KCNH2BRD4CREBBP | |
| SCHEMBL743792 | 0.65 | CA12 (0.43) | KDM1ACHRNA7KCNH2CA12BRD4 | |
| SCHEMBL2484827 | 0.64 | CHRNA7 (0.49) | CHRNA7KCNH2 |
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-2431368-A1 | CNS active fused bicycloheterocycle substituted azabicyclic alkane derivatives | Abbott Laboratories (US) | 2012-03-21 | — | — | EP | disclosed |