Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 15/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.37 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 2/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | GSK3A | P49840 | 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 | |
|---|---|---|---|---|
| SCHEMBL3703983 | 0.80 | PIN1 (0.61) | PIN1GSK3BAURKAGSK3A | |
| SCHEMBL3708830 | 0.78 | PIN1 (0.49) | PIN1MAPTMEN1KMT2AGSK3B | |
| SCHEMBL4867295 | 0.75 | PIN1 (0.61) | PIN1GSK3B | |
| SCHEMBL7491353 | 0.74 | MAPT (0.64) | PIN1MAPTGSK3BAURKAGSK3A | |
| Alcohol SCHEMBL27702458 | 0.72 | PIN1 (0.55) | PIN1MAPTMEN1CYP1A2CYP3A4 | |
| SCHEMBL3158536 | 0.72 | PIN1 (0.55) | PIN1MAPTMEN1CYP1A2CYP3A4 | |
| SCHEMBL1804900 | 0.72 | PIN1 (0.57) | PIN1MAPT | |
| SCHEMBL28657847 | 0.72 | PIN1 (0.57) | PIN1MAPTCYP3A4CYP2C9GSK3B | |
| SCHEMBL1496408 | 0.72 | PIN1 (0.57) | PIN1MAPTGSK3B | |
| SCHEMBL3178372 | 0.71 | PIN1 (0.50) | PIN1MAPTCYP3A4CYP2C9GSK3B |
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 |