Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 16/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 8/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ALPG | P10696 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 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 | |
|---|---|---|---|---|
| SCHEMBL23110701 | 0.82 | KDM4E (0.42) | CCR1KCNH2KDM4EALDH1A1LMNA | |
| SCHEMBL23110805 | 0.77 | GPR119 (0.48) | — | |
| Trifluoroacetic Acid SCHEMBL23093912 | 0.75 | HTR2C (0.40) | KDM4EALDH1A1LMNAPOLBHSP90AA1 | |
| SCHEMBL31430374 | 0.75 | DRD2 (0.44) | CCR1POLBDRD2 | |
| SCHEMBL11544682 | 0.74 | KMT2A (0.58) | KDM4EALDH1A1LMNAGAAMAPT | |
| SCHEMBL863353 | 0.71 | HRH3 (0.46) | KCNH2 | |
| SCHEMBL3715688 | 0.70 | TRPM8 (0.56) | DRD2 | |
| SCHEMBL28549863 | 0.70 | DRD2 (0.43) | CCR1KCNH2DRD2 | |
| SCHEMBL10192235 | 0.70 | KDM4E (0.41) | KDM4EDRD2 | |
| SCHEMBL10192220 | 0.70 | KDM4E (0.41) | KDM4EDRD2 |
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 3 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 |
| 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 |