Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 14/20 | 0.58 |
| ▸ | CDK1 | P06493 | 1/20 | 0.54 |
| ▸ | CDK2 | P24941 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | HTR3A | P46098 | 1/20 | 0.43 |
| ▸ | GSK3A | P49840 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | SMYD2 | Q9NRG4 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4500932 | 0.97 | GSK3B (0.62) | GSK3BCDK1CDK2CYP1A2PKM | |
| SCHEMBL1461200 | 0.91 | GSK3B (0.61) | GSK3BCDK1CDK2CYP1A2PKM | |
| SCHEMBL4492373 | 0.90 | GSK3B (0.70) | GSK3BCDK1CDK2CYP1A2 | |
| SCHEMBL4494753 | 0.89 | GSK3B (0.64) | GSK3BCDK1CDK2CYP1A2GSK3A | |
| SCHEMBL6207556 | 0.84 | GSK3B (0.46) | GSK3BCDK1CDK2CYP1A2GSK3A | |
| SCHEMBL4492707 | 0.82 | GSK3B (0.69) | GSK3BCDK1CDK2CYP1A2 | |
| SCHEMBL4497559 | 0.81 | GSK3B (0.74) | GSK3BCDK1CDK2CYP1A2 | |
| SCHEMBL4509800 | 0.80 | GSK3B (0.59) | GSK3BCDK1CDK2CYP1A2KDM4E | |
| SCHEMBL4499482 | 0.80 | GSK3B (0.75) | GSK3BCDK1CDK2CYP1A2GSK3A | |
| SCHEMBL27623027 | 0.79 | GSK3B (0.70) | GSK3BCDK1CDK2CYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1537087-A1 | NOVEL AMINOINDAZOLE DERIVATIVES AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | Aventis Pharma S.A. (FR) | 2005-06-08 | — | — | EP | disclosed |
| WO-2004022544-A1 | NOVEL AMINOINDAZOLE DERIVATIVES AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | AVENTIS PHARMA S.A. (FR) | 2004-03-18 | — | — | WO | disclosed |