Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 9/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | CA7 | P43166 | 3/20 | 0.39 |
| ▸ | CA9 | Q16790 | 3/20 | 0.39 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL20531379 | 0.88 | MAPT (0.42) | MAPTALDH1A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL23110743 | 0.87 | TRPM8 (0.36) | CYP2C9CA1CA2CA7CA9 | |
| SCHEMBL19030303 | 0.85 | MAPT (0.46) | MAPTALDH1A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL19030210 | 0.84 | MAPT (0.48) | MAPTALDH1A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL23110742 | 0.84 | IRAK4 (0.40) | ALDH1A1LMNAIRAK4 | |
| SCHEMBL19030559 | 0.84 | IRAK4 (0.46) | MAPTALDH1A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL23110693 | 0.83 | ALPL (0.34) | MAPTALDH1A1CYP2C9CYP3A4LMNA | |
| SCHEMBL28655900 | 0.81 | IRAK4 (0.47) | MAPTALDH1A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL19030207 | 0.80 | IRAK4 (0.51) | MAPTALDH1A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL19030539 | 0.79 | IRAK4 (0.48) | MAPTALDH1A1CYP2C9CYP2C19CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| CN-112480101-A | IRAK4 kinase inhibitor and preparation and application thereof | 中国科学院上海药物研究所 | 2021-03-12 | — | — | CN | disclosed |