Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 4/20 | 0.51 |
| ▸ | NTRK1 | P04629 | 10/20 | 0.39 |
| ▸ | NTRK3 | Q16288 | 8/20 | 0.39 |
| ▸ | NTRK2 | Q16620 | 7/20 | 0.39 |
| ▸ | RET | P07949 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | FLT3 | P36888 | 1/20 | 0.36 |
| ▸ | ACACB | O00763 | 1/20 | 0.36 |
| ▸ | AAK1 | Q2M2I8 | 3/20 | 0.35 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.35 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.35 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14896964 | 1.00 | IRAK4 (0.51) | IRAK4NTRK1NTRK3NTRK2RET | |
| SCHEMBL16193116 | 0.89 | IRAK4 (0.49) | IRAK4NTRK1NTRK3NTRK2AAK1 | |
| SCHEMBL14897060 | 0.88 | IRAK4 (0.49) | IRAK4NTRK1NTRK3NTRK2 | |
| SCHEMBL14897000 | 0.88 | IRAK4 (0.50) | IRAK4NTRK1NTRK3NTRK2RET | |
| SCHEMBL14897174 | 0.86 | IRAK4 (0.52) | IRAK4NTRK1NTRK3NTRK2RET | |
| SCHEMBL14897276 | 0.85 | IRAK4 (0.53) | IRAK4NTRK1NTRK3NTRK2RET | |
| SCHEMBL16193143 | 0.85 | IRAK4 (0.49) | IRAK4NTRK1NTRK3NTRK2CACNA1G | |
| SCHEMBL14897324 | 0.85 | IRAK4 (0.51) | IRAK4NTRK1NTRK3NTRK2 | |
| SCHEMBL14897396 | 0.84 | IRAK4 (0.50) | IRAK4NTRK1NTRK3NTRK2CACNA1G | |
| SCHEMBL14896864 | 0.84 | IRAK4 (0.50) | IRAK4NTRK1 |
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 |