Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 1/20 | 0.40 |
| ▸ | CDC7 | O00311 | 1/20 | 0.35 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.34 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.34 |
| ▸ | CDK4 | P11802 | 1/20 | 0.34 |
| ▸ | CCND1 | P24385 | 1/20 | 0.34 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 2/20 | 0.33 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.33 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.33 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.33 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.33 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL6766113 | 0.78 | PTGS2 (0.37) | CYP3A4EGFRERBB2KDM4EADORA2A | |
| SCHEMBL6832471 | 0.77 | PTGS2 (0.38) | CYP3A4EGFRERBB2KDM4EADORA2A | |
| SCHEMBL6765715 | 0.76 | ERBB2 (0.44) | CYP3A4EGFRERBB2KDM4EADORA2A | |
| SCHEMBL2492957 | 0.75 | ITK (0.41) | CCNE2CCNE1CDK2BCAT2KDM4E | |
| SCHEMBL2128919 | 0.74 | CYP3A4 (0.52) | IKBKBCDC7CYP3A4CHEK1PARP1 | |
| SCHEMBL2490531 | 0.73 | CYP3A4 (0.54) | CYP3A4TNFRSF1AEGFRERBB2ADORA2A | |
| SCHEMBL2490533 | 0.73 | CYP3A4 (0.54) | CYP3A4TNFRSF1AEGFRERBB2ADORA2A | |
| SCHEMBL6832451 | 0.70 | CYP3A4 (0.52) | CYP3A4TNFRSF1AERBB2 | |
| SCHEMBL2491302 | 0.70 | RARA (0.43) | CYP3A4EGFRERBB2KDM4E | |
| SCHEMBL10134543 | 0.69 | ITK (0.41) | KDM4E |
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-2379534-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2011-10-26 | — | — | EP | claimed |