Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 10/20 | 0.61 |
| ▸ | GAA | P10253 | 3/20 | 0.49 |
| ▸ | GSK3B | P49841 | 2/20 | 0.45 |
| ▸ | AURKA | O14965 | 1/20 | 0.45 |
| ▸ | GSK3A | P49840 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3708830 | 0.88 | PIN1 (0.49) | PIN1GAAGSK3BAURKAGSK3A | |
| SCHEMBL13286376 | 0.80 | PIN1 (0.53) | PIN1GSK3BAURKAGSK3A | |
| SCHEMBL3808780 | 0.79 | PLK1 (0.64) | PIN1GSK3BAURKAGSK3AALDH1A1 | |
| SCHEMBL6191165 | 0.78 | PIN1 (0.52) | PIN1GSK3BAURKAGSK3AALDH1A1 | |
| SCHEMBL3976795 | 0.76 | PIN1 (1.00) | PIN1GSK3BAURKAGSK3AALDH1A1 | |
| SCHEMBL3811561 | 0.74 | PIN1 (0.67) | PIN1GAAGSK3BAURKAGSK3A | |
| SCHEMBL3707444 | 0.74 | PRKCQ (0.52) | GAAGSK3BAURKAGSK3A | |
| SCHEMBL3971786 | 0.73 | PIN1 (0.65) | PIN1HTTKDM4E | |
| SCHEMBL13788890 | 0.72 | PIN1 (0.63) | PIN1GSK3BAURKAGSK3A | |
| SCHEMBL7491353 | 0.72 | MAPT (0.64) | PIN1GSK3BAURKAGSK3A |
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-2010083645-A1 | PYRIMIDO[5,4-e][1,2,4]TRIAZINES AND USES THEREOF | SHANGHAI TARGETDRUG CO., LTD (CN) | 2010-07-29 | — | — | WO | disclosed |