Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1A | Q13627 | 2/20 | 0.47 |
| ▸ | AAK1 | Q2M2I8 | 3/20 | 0.46 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.42 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.42 |
| ▸ | WNT3A | P56704 | 5/20 | 0.42 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.41 |
| ▸ | CDC7 | O00311 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.40 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.40 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.40 |
| ▸ | PSEN1 | P49768 | 3/20 | 0.40 |
| ▸ | PSEN2 | P49810 | 3/20 | 0.40 |
| ▸ | APH1B | Q8WW43 | 3/20 | 0.40 |
| ▸ | NCSTN | Q92542 | 3/20 | 0.40 |
| ▸ | APH1A | Q96BI3 | 3/20 | 0.40 |
| ▸ | PSENEN | Q9NZ42 | 3/20 | 0.40 |
| ▸ | CCNC | P24863 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL24767561 | 0.85 | AAK1 (0.48) | DYRK1AAAK1PDE3BPDE3AWNT3A | |
| SCHEMBL29393867 | 0.85 | AAK1 (0.48) | DYRK1AAAK1PDE3BPDE3AWNT3A | |
| SCHEMBL16606159 | 0.85 | AAK1 (0.48) | DYRK1AAAK1PDE3BPDE3AWNT3A | |
| SCHEMBL16593240 | 0.85 | DYRK1A (0.46) | DYRK1AAAK1PDE3BPDE3AWNT3A | |
| Bromide SCHEMBL16593406 | 0.84 | AAK1 (0.47) | DYRK1AAAK1PDE3BPDE3AWNT3A | |
| Bicarbonate SCHEMBL28852218 | 0.82 | AAK1 (0.44) | DYRK1AAAK1WNT3APSEN1PSEN2 | |
| SCHEMBL15471657 | 0.82 | ESR1 (0.46) | — | |
| SCHEMBL1505778 | 0.80 | AAK1 (0.50) | DYRK1AAAK1PDE3BPDE3APSEN1 | |
| SCHEMBL13036114 | 0.79 | DYRK1A (0.53) | DYRK1AAAK1PDE3BPDE3AWNT3A | |
| SCHEMBL26036293 | 0.76 | ESR1 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9926312-B2 | 4-azaindole derivatives | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2018-03-27 | — | — | US | disclosed |