Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.66 |
| ▸ | ERBB3 | P21860 | 2/20 | 0.66 |
| ▸ | TYK2 | P29597 | 3/20 | 0.47 |
| ▸ | JAK2 | O60674 | 2/20 | 0.47 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.47 |
| ▸ | CDK1 | P06493 | 1/20 | 0.42 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.42 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.42 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.42 |
| ▸ | CDK2 | P24941 | 1/20 | 0.42 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.42 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | GRM5 | P41594 | 1/20 | 0.38 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.38 |
| ▸ | HTR3B | O95264 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL690511 | 0.82 | EGFR (0.52) | EGFRERBB3TYK2JAK2SCN9A | |
| SCHEMBL31300242 | 0.80 | HTT (0.50) | EGFRERBB3TYK2JAK2CDK1 | |
| SCHEMBL31247375 | 0.80 | HTT (0.50) | EGFRERBB3TYK2JAK2CDK1 | |
| SCHEMBL374472 | 0.73 | EGFR (0.64) | EGFRERBB3SCN9ACDK1CCNB1 | |
| SCHEMBL31008561 | 0.72 | ASIC3 (0.50) | EGFRERBB3TYK2JAK2SCN9A | |
| SCHEMBL28936140 | 0.72 | SCN9A (0.53) | EGFRERBB3TYK2JAK2SCN9A | |
| SCHEMBL29919700 | 0.72 | SCN9A (0.53) | EGFRERBB3TYK2JAK2SCN9A | |
| SCHEMBL12310579 | 0.72 | THRB (0.48) | EGFRERBB3TYK2JAK2SCN9A | |
| SCHEMBL31247545 | 0.72 | EGFR (0.52) | EGFRERBB3TYK2JAK2GRM5 | |
| SCHEMBL690354 | 0.72 | EGFR (0.52) | EGFRERBB3TYK2JAK2MKNK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2441755-A1 | Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors | Almirall, S.A. (ES) | 2012-04-18 | — | — | EP | disclosed |