Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | RIPK3 | Q9Y572 | 7/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.35 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.35 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.35 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.35 |
| ▸ | CDK9 | P50750 | 1/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.35 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.35 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | JAK3 | P52333 | 1/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL18655322 | 0.86 | GSK3B (0.38) | DYRK3CCNT1CDK9DYRK1ADYRK2 | |
| SCHEMBL14897025 | 0.78 | IRAK4 (0.49) | KDM4ERIPK3RAB9ACSNK1DCSNK1E | |
| SCHEMBL31601830 | 0.70 | KDM4E (0.56) | KDM4ERIPK3NPC1ALDH1A1TP53 | |
| SCHEMBL18654754 | 0.69 | NTRK1 (0.38) | IRAK4 | |
| SCHEMBL18590412 | 0.68 | KDM4E (0.61) | KDM4ERIPK3NPC1ALDH1A1TP53 | |
| SCHEMBL18654801 | 0.68 | PIM1 (0.41) | NPC1RAB9ADYRK3CCNT1CDK9 | |
| SCHEMBL18654755 | 0.68 | SYK (0.35) | ALDH1A1CSNK1EDYRK1ARXFP1IRAK4 | |
| SCHEMBL14897731 | 0.67 | IRAK4 (0.46) | ALDH1A1RAB9ACSNK1DCSNK1EIRAK4 | |
| SCHEMBL18654877 | 0.67 | PIM1 (0.36) | DYRK3CCNT1CDK9DYRK1ADYRK2 | |
| SCHEMBL13111002 | 0.67 | KDM4E (0.56) | KDM4ERIPK3NPC1ALDH1A1TP53 |
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-2768509-B1 | SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS | GLAXOSMITHKLINE LLC (US) | 2017-03-22 | — | — | EP | disclosed |