Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 3/20 | 0.55 |
| ▸ | CD38 | P28907 | 3/20 | 0.50 |
| ▸ | IRAK4 | Q9NWZ3 | 6/20 | 0.48 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1584960 | 0.94 | EGFR (0.58) | EGFRIRAK4CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL19283431 | 0.89 | IRAK4 (0.61) | EGFRIRAK4CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL17651871 | 0.88 | EGFR (0.53) | EGFRIRAK4CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL17656931 | 0.83 | IRAK4 (0.69) | IRAK4 | |
| SCHEMBL19136050 | 0.83 | IRAK4 (0.69) | IRAK4 | |
| Hydrochloric Acid SCHEMBL19283380 | 0.82 | IRAK4 (0.68) | IRAK4 | |
| SCHEMBL13917265 | 0.79 | CYP1A2 (0.48) | IRAK4CYP1A2CYP3A4CYP2C19HSD17B10 | |
| SCHEMBL17656917 | 0.76 | IRAK4 (0.76) | IRAK4 | |
| SCHEMBL22368057 | 0.76 | IRAK4 (0.67) | EGFRCD38IRAK4MAP4K4CYP1A2 | |
| SCHEMBL4357479 | 0.75 | IRAK4 (0.75) | EGFRCD38IRAK4MAP4K4CYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3200790-B1 | INHIBITORS OF IRAK4 ACTIVITY | MERCK SHARP & DOHME (US) | 2020-08-26 | — | — | EP | disclosed |
| EP-3200788-B1 | INHIBITORS OF IRAK4 ACTIVITY | MERCK SHARP & DOHME (US) | 2019-09-18 | — | — | EP | disclosed |