Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | GSK3B | P49841 | 4/20 | 0.46 |
| ▸ | CDK2 | P24941 | 3/20 | 0.43 |
| ▸ | GSR | P00390 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | RAF1 | P04049 | 1/20 | 0.37 |
| ▸ | BRAF | P15056 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HTR7 | P34969 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL13289501 | 0.95 | ALDH1A1 (0.47) | ALDH1A1GSK3BCDK2GSRPOLB | |
| SCHEMBL13289274 | 0.92 | GSK3B (0.46) | ALDH1A1GSK3BCDK2GSRRAF1 | |
| SCHEMBL14546013 | 0.92 | GSK3B (0.47) | ALDH1A1GSK3BCDK2POLBKMT2A | |
| SCHEMBL13289272 | 0.91 | GSK3B (0.48) | ALDH1A1GSK3BCDK2POLBMEN1 | |
| SCHEMBL13289118 | 0.91 | GSK3B (0.56) | ALDH1A1GSK3BCDK2POLBPKM | |
| SCHEMBL13289126 | 0.91 | GSK3B (0.47) | ALDH1A1GSK3BCDK2POLBPKM | |
| SCHEMBL13289394 | 0.90 | GSK3B (0.44) | ALDH1A1GSK3BCDK2POLBKMT2A | |
| SCHEMBL13121229 | 0.90 | GSK3B (0.59) | ALDH1A1GSK3BCDK2GSRPOLB | |
| SCHEMBL13289384 | 0.89 | GSK3B (0.47) | ALDH1A1GSK3BCDK2POLBPKM | |
| SCHEMBL13289506 | 0.89 | GSK3B (0.47) | ALDH1A1GSK3BCDK2POLBPKM |
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-2194058-A1 | Pyrazolopyrimidines suitable for the treatment of cancer diseases | SCHERING CORPORATION (US) | 2010-06-09 | — | — | EP | disclosed |