Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 15/20 | 0.51 |
| ▸ | DYRK1A | Q13627 | 15/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | WNT1 | P04628 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13188627 | 0.89 | GSK3B (0.61) | GSK3BDYRK1AALDH1A1ADORA2AADORA1 | |
| SCHEMBL3715077 | 0.87 | AURKA (0.45) | DYRK1AALDH1A1WNT1 | |
| SCHEMBL3718978 | 0.83 | HDAC1 (0.46) | GSK3BDYRK1AADORA2AADORA1WNT1 | |
| SCHEMBL3716106 | 0.83 | CYP3A4 (0.44) | DYRK1AWNT1 | |
| SCHEMBL3712071 | 0.82 | GAA (0.46) | DYRK1A | |
| SCHEMBL3714505 | 0.82 | PIK3CA (0.48) | — | |
| SCHEMBL3712399 | 0.82 | GRM5 (0.46) | ALDH1A1ADORA2AADORA1 | |
| SCHEMBL3711486 | 0.81 | CYP19A1 (0.39) | ALDH1A1ADORA2AADORA1 | |
| SCHEMBL3710580 | 0.81 | NPC1 (0.42) | GSK3BDYRK1AALDH1A1ADORA2AADORA1 | |
| SCHEMBL3719844 | 0.81 | CYP19A1 (0.39) | ALDH1A1ADORA2AADORA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010100475-A1 | HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS | ASTRAZENECA AB (SE) | 2010-09-10 | — | — | WO | disclosed |