Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | CDK5 | Q00535 | 4/20 | 0.34 |
| ▸ | CDK5R1 | Q15078 | 4/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | APEX1 | P27695 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.34 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.34 |
| ▸ | SYK | P43405 | 2/20 | 0.33 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3705669 | 0.80 | ALDH1A1 (0.43) | ALDH1A1KDM4ECDK5CDK5R1HPGD | |
| SCHEMBL3711295 | 0.78 | ALDH1A1 (0.39) | ALDH1A1KDM4ERXFP1CDK5CDK5R1 | |
| SCHEMBL863915 | 0.76 | CDK5 (0.39) | ALDH1A1KDM4ERXFP1CDK5CDK5R1 | |
| SCHEMBL3714056 | 0.73 | KDM4E (0.37) | ALDH1A1KDM4ERXFP1CDK5CDK5R1 | |
| SCHEMBL3714054 | 0.73 | KDM4E (0.37) | ALDH1A1KDM4ERXFP1CDK5CDK5R1 | |
| SCHEMBL15184778 | 0.64 | HTR7 (0.39) | ALDH1A1KDM4ERXFP1PIK3CD | |
| SCHEMBL864178 | 0.64 | HTR7 (0.39) | ALDH1A1KDM4ERXFP1PIK3CD | |
| SCHEMBL863617 | 0.64 | ALDH1A1 (0.35) | ALDH1A1KDM4ECDK5CDK5R1HPGD | |
| SCHEMBL864209 | 0.63 | PIK3CD (0.41) | CDK5CDK5R1PIK3CDCCNB2CDK1 | |
| SCHEMBL865639 | 0.63 | KDM4E (0.37) | ALDH1A1KDM4ERXFP1CDK5CDK5R1 |
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-2396315-A1 | FUSED PYRIDINE AND PYRAZINE DERIVATIVES AS KINASE INHIBITORS | UCB Pharma, S.A. (BE) | 2011-12-21 | — | — | EP | disclosed |
| WO-2010092340-A1 | FUSED PYRIDINE AND PYRAZINE DERIVATIVES AS KINASE INHIBITORS | UCB PHARMA S.A. (BE) | 2010-08-19 | — | — | WO | disclosed |