Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | IRAK4 | Q9NWZ3 | 9/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | AHR | P35869 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | GSK3A | P49840 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23093790 | 0.86 | RAB9A (0.38) | RAB9ANPC1IRAK4MAPTAHR | |
| SCHEMBL19030294 | 0.81 | ESPL1 (0.46) | IRAK4MAPT | |
| SCHEMBL23110874 | 0.80 | IRAK4 (0.36) | IRAK4 | |
| SCHEMBL19030430 | 0.78 | AKR1B1 (0.41) | IRAK4 | |
| SCHEMBL19030279 | 0.78 | IRAK4 (0.44) | RAB9AIRAK4 | |
| SCHEMBL19030213 | 0.75 | IRAK4 (0.44) | IRAK4 | |
| SCHEMBL19044618 | 0.74 | ALDH1A1 (0.45) | GAAIRAK4MAPT | |
| SCHEMBL28653984 | 0.72 | IRAK4 (0.42) | IRAK4 | |
| SCHEMBL19030128 | 0.72 | IRAK4 (0.52) | IRAK4 | |
| SCHEMBL23110491 | 0.72 | GPR119 (0.49) | MAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112480101-B | IRAK4 kinase inhibitor, preparation and application thereof | 中国科学院上海药物研究所 | 2022-11-25 | — | — | CN | disclosed |
| 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 |
| 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 |