Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.42 |
| ▸ | PRKDC | P78527 | 1/20 | 0.42 |
| ▸ | ATR | Q13535 | 1/20 | 0.42 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.41 |
| ▸ | DPP4 | P27487 | 1/20 | 0.41 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.41 |
| ▸ | CLK1 | P49759 | 1/20 | 0.41 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.41 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.40 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.40 |
| ▸ | NEK1 | Q96PY6 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27582159 | 0.86 | RAB9A (0.43) | ADORA1ATRPIN1DPP4HDAC2 | |
| SCHEMBL27582118 | 0.85 | CYP4F2 (0.36) | — | |
| SCHEMBL27599567 | 0.82 | ATR (0.40) | ADORA2AADORA1ATRADORA3CHEK2 | |
| SCHEMBL27599366 | 0.80 | DHODH (0.38) | SMN1; SMN2 | |
| SCHEMBL27582252 | 0.78 | KMO (0.43) | SMN1; SMN2EGLN1 | |
| SCHEMBL27582168 | 0.74 | CCNC (0.37) | PIN1 | |
| SCHEMBL4796564 | 0.74 | AURKA (0.47) | MAPTSMN1; SMN2 | |
| SCHEMBL3221686 | 0.71 | DYRK1A (0.63) | ADORA2AADORA1PIN1ADORA3ADORA2B | |
| SCHEMBL27671509 | 0.71 | KMO (0.50) | ATRSMN1; SMN2CSNK2A2CSNK2B | |
| SCHEMBL5397274 | 0.71 | AURKA (0.56) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1494541-A | heterocyclic inhibitors of ERK2 and uses thereof | ��̩��˹ҩ��ɷ�����˾ | 2004-05-05 | — | — | CN | disclosed |