Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | CDC7 | O00311 | 4/20 | 0.50 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.50 |
| ▸ | PAK4 | O96013 | 1/20 | 0.50 |
| ▸ | PIM1 | P11309 | 1/20 | 0.50 |
| ▸ | CDK2 | P24941 | 1/20 | 0.50 |
| ▸ | FLT3 | P36888 | 1/20 | 0.50 |
| ▸ | GSK3B | P49841 | 1/20 | 0.50 |
| ▸ | CDK9 | P50750 | 1/20 | 0.50 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.50 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.50 |
| ▸ | MELK | Q14680 | 1/20 | 0.50 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.50 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.50 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL28563218 | 0.85 | RAB9A (0.61) | GAASMN1; SMN2CDK2CDK5MEN1 | |
| SCHEMBL28777247 | 0.84 | RAB9A (0.51) | GAASMN1; SMN2CDK2CDK9MAPK1 | |
| SCHEMBL28736325 | 0.80 | SYK (0.49) | GAACDC7MEN1KMT2AMAPK1 | |
| SCHEMBL2453813 | 0.76 | GAA (0.73) | GAASMN1; SMN2MEN1KMT2AMAPT | |
| SCHEMBL21645364 | 0.76 | GAA (0.68) | GAASMN1; SMN2MEN1KMT2AMAPK1 | |
| SCHEMBL8236544 | 0.75 | SMN1; SMN2 (1.00) | GAASMN1; SMN2CDC7DAPK3PAK4 | |
| SCHEMBL27589799 | 0.75 | SMN1; SMN2 (0.65) | SMN1; SMN2CDC7DAPK3PAK4PIM1 | |
| SCHEMBL28736394 | 0.74 | EGFR (0.58) | SMN1; SMN2CDK2CDK5DYRK1AMEN1 | |
| SCHEMBL21645602 | 0.73 | GAA (0.63) | GAAMEN1KMT2AMAPK1MAPT | |
| SCHEMBL21496112 | 0.73 | SYK (0.51) | GAACDK2CDK5MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-108191774-A | Heterocycle compound, preparation method and use | 中国药科大学 | 2018-06-22 | — | — | CN | claimed |
| CN-108191774-B | Heterocyclic compound, preparation method and application thereof | 中国药科大学 | 2022-05-24 | — | — | CN | disclosed |