Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.48 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.46 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.46 |
| ▸ | RAF1 | P04049 | 1/20 | 0.46 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.46 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.46 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.46 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.46 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.44 |
| ▸ | XDH | P47989 | 1/20 | 0.44 |
| ▸ | TDO2 | P48775 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | CDC7 | O00311 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5774438 | 0.82 | XDH (0.47) | RAF1SCN2APIN1XDHKDM4E | |
| SCHEMBL5772068 | 0.82 | XDH (0.47) | MAPK14MAPK13RAF1MAPK9MAPK12 | |
| SCHEMBL5772104 | 0.81 | XDH (0.41) | RAF1SCN2APIN1XDHKDM4E | |
| Hydrochloric Acid SCHEMBL5774377 | 0.79 | HTR2C (0.41) | RAF1SCN2APIN1XDHKDM4E | |
| SCHEMBL5211402 | 0.78 | PIN1 (0.52) | ADORA2AADORA1MAPK14MAPK13RAF1 | |
| SCHEMBL5772107 | 0.78 | XDH (0.43) | SCN2APIN1XDHKDM4ECDC7 | |
| SCHEMBL5772874 | 0.76 | KDM4E (0.47) | ADORA2AADORA1MAPK14MAPK13RAF1 | |
| Hydrochloric Acid SCHEMBL5774382 | 0.76 | XDH (0.41) | SCN2APIN1XDHKDM4ECDC7 | |
| SCHEMBL5776173 | 0.75 | NPY5R (0.51) | ADORA2AADORA1KDM4ECDC7LMNA | |
| SCHEMBL5775603 | 0.75 | ADORA3 (0.50) | ADORA2AADORA1XDHKDM4ECDC7 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1054887-B1 | BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS | AMGEN INC (US) | 2006-04-12 | — | — | EP | disclosed |
| US-6583154-B1 | Neuropeptide Y antagonist; pyrrolo-(3,2-b)pyridines and pyrrolo-(3,2-d)pyrimidines | AMGEN INC. | 2003-06-24 | — | — | US | disclosed |
| US-6187777-B1 | PYRROLO(3,2-D)PYRIMIDINE DERIVATIVES; NEUROPEPTIDE Y AND CORTICOTROPIN RELEASING FACTOR MODULATORS; DIETETICS; ANTIDIABETIC, ANTIINFLAMMATORY, AND ANTITUMOR AGENTS | AMGEN INC. | 2001-02-13 | — | — | US | disclosed |