Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 8/20 | 0.41 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21326682 | 0.93 | CYP1A2 (0.48) | CYP1A2CYP2C9MAPTIRAK4ALDH1A1 | |
| SCHEMBL21326611 | 0.88 | IRAK4 (0.46) | MAPTIRAK4ALDH1A1MAPK1LMNA | |
| SCHEMBL21326713 | 0.81 | DPP4 (0.39) | CYP1A2CYP2C9MAPTALDH1A1CYP2C19 | |
| Hydrochloric Acid SCHEMBL21326724 | 0.80 | DPP4 (0.39) | CYP1A2CYP2C9MAPTALDH1A1CYP2C19 | |
| SCHEMBL21326717 | 0.80 | IRAK4 (0.51) | CYP1A2CYP2C9MAPTIRAK4ALDH1A1 | |
| SCHEMBL21326647 | 0.79 | IRAK4 (0.38) | MAPTIRAK4ALDH1A1MAPK1LMNA | |
| SCHEMBL21326665 | 0.78 | CYP2C9 (0.41) | CYP1A2CYP2C9MAPTIRAK4ALDH1A1 | |
| SCHEMBL21326707 | 0.78 | CYP1A2 (0.41) | CYP1A2CYP2C9MAPTIRAK4ALDH1A1 | |
| SCHEMBL29773991 | 0.77 | IRAK4 (0.37) | MAPTIRAK4ALDH1A1MAPK1KMT2A | |
| SCHEMBL21326709 | 0.77 | IRAK4 (0.53) | MAPTIRAK4ALDH1A1LMNASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021047677-A1 | IRAK4 KINASE INHIBITOR AND PREPARATION THEREOF AND USE THEREOF | 中国科学院上海药物研究所 | 2021-03-18 | — | — | WO | disclosed |