Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 6/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | EPHB3 | P54753 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | CASP1 | P29466 | 2/20 | 0.34 |
| ▸ | CASP7 | P55210 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.34 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.34 |
| ▸ | CDK9 | P50750 | 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 | |
|---|---|---|---|---|
| SCHEMBL18654864 | 0.82 | IRAK4 (0.47) | IRAK4SMN1; SMN2HTTPOLBEPHB3 | |
| SCHEMBL18654639 | 0.82 | NTRK1 (0.40) | IRAK4 | |
| SCHEMBL18654870 | 0.79 | IRAK4 (0.48) | IRAK4SMN1; SMN2MAPTALDH1A1POLB | |
| SCHEMBL21765953 | 0.77 | IRAK4 (0.50) | IRAK4SMN1; SMN2HTTMAPTALDH1A1 | |
| SCHEMBL20355593 | 0.76 | IRAK4 (0.53) | IRAK4SMN1; SMN2HTTMAPTALDH1A1 | |
| SCHEMBL14897370 | 0.74 | IRAK4 (0.52) | IRAK4EPHB3MEN1KMT2ATP53 | |
| SCHEMBL14897258 | 0.74 | IRAK4 (0.48) | IRAK4SMN1; SMN2MAPTALDH1A1POLB | |
| SCHEMBL14897368 | 0.74 | IRAK4 (0.46) | IRAK4SMN1; SMN2MAPTALDH1A1POLB | |
| SCHEMBL14897731 | 0.74 | IRAK4 (0.46) | IRAK4SMN1; SMN2HTTALDH1A1EPHB3 | |
| SCHEMBL21637243 | 0.73 | HTT (0.47) | IRAK4SMN1; SMN2HTTMAPTALDH1A1 |
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 |