Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | TDO2 | P48775 | 1/20 | 0.39 |
| ▸ | ACP1 | P24666 | 2/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.37 |
| ▸ | FEN1 | P39748 | 2/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.36 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.36 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | TOP1 | P11387 | 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 | |
|---|---|---|---|---|
| SCHEMBL28071862 | 0.79 | ADORA2A (0.59) | KDM4EADORA3ADORA2AADORA1BACE1 | |
| SCHEMBL20272 | 0.76 | KDM4E (0.42) | KDM4EDYRK1ADYRK3CCNA2CDK2 | |
| SCHEMBL3910159 | 0.76 | ADORA2A (0.53) | KDM4EADORA3ADORA2AADORA1TOP1 | |
| SCHEMBL3898780 | 0.75 | ADORA2A (0.51) | KDM4EADORA3ADORA2AADORA1 | |
| SCHEMBL3898550 | 0.74 | ADORA2A (0.72) | KDM4EADORA3ADORA2AADORA1TOP1 | |
| SCHEMBL3907709 | 0.72 | DYRK1A (0.43) | KDM4EDYRK1AADORA3ADORA2AADORA1 | |
| SCHEMBL22234018 | 0.71 | KIF11 (0.52) | ADORA3ADORA2AADORA1BACE1 | |
| SCHEMBL1014073 | 0.70 | TRPV1 (0.69) | TRPV1 | |
| SCHEMBL6531140 | 0.69 | ADORA2A (0.54) | KDM4EDYRK1AADORA3ADORA2AADORA1 | |
| SCHEMBL3897476 | 0.69 | PTGS2 (0.52) | KDM4EADORA3ADORA2AADORA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1542692-A1 | AMINO-PYRIDINE, -PYRIDINE AND PYRIDAZINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN | Amgen Inc. (US) | 2005-06-22 | — | — | EP | disclosed |
| WO-2003099284-A1 | AMINO-PYRIDINE, -PYRIDINE AND PYRIDAZINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN | AMGEN INC. (US) | 2003-12-04 | — | — | WO | disclosed |