Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 4/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | NTRK1 | P04629 | 5/20 | 0.39 |
| ▸ | NTRK3 | Q16288 | 2/20 | 0.39 |
| ▸ | NTRK2 | Q16620 | 2/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.36 |
| ▸ | KIF18A | Q8NI77 | 1/20 | 0.35 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.34 |
| ▸ | ACACB | O00763 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18655207 | 0.89 | IRAK4 (0.41) | IRAK4MCHR1NTRK1NTRK3NTRK2 | |
| SCHEMBL18654751 | 0.89 | IRAK4 (0.41) | IRAK4MCHR1NTRK1NTRK3NTRK2 | |
| SCHEMBL18655143 | 0.85 | IRAK4 (0.46) | IRAK4NTRK1NTRK3NTRK2KIF18A | |
| SCHEMBL14896897 | 0.80 | IRAK4 (0.48) | IRAK4NTRK1NTRK3NTRK2AAK1 | |
| SCHEMBL18654495 | 0.72 | CNR1 (0.37) | IRAK4TGFBR1 | |
| SCHEMBL14897445 | 0.71 | IRAK4 (0.45) | IRAK4MCHR1KIF18AAAK1ACACB | |
| SCHEMBL14897149 | 0.71 | IRAK4 (0.45) | IRAK4MCHR1KIF18AAAK1ACACB | |
| SCHEMBL14897379 | 0.71 | IRAK4 (0.47) | IRAK4NTRK1NTRK3NTRK2AAK1 | |
| SCHEMBL14897378 | 0.71 | AAK1 (0.47) | IRAK4MCHR1NTRK1NTRK3NTRK2 | |
| SCHEMBL14897641 | 0.71 | IRAK4 (0.49) | IRAK4NTRK1KIF18AACACB |
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 |