Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ALPG | P10696 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.40 |
| ▸ | ACACB | O00763 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL23093804 | 0.82 | CCR1 (0.38) | KDM4EALDH1A1LMNAPOLBHSP90AA1 | |
| SCHEMBL2342130 | 0.82 | EPHX2 (0.54) | KDM4EALDH1A1LMNAGAAMAPT | |
| SCHEMBL23110805 | 0.80 | GPR119 (0.48) | ESR2 | |
| SCHEMBL11544682 | 0.79 | KMT2A (0.58) | KDM4EALDH1A1LMNAGAAMAPT | |
| Trifluoroacetic Acid SCHEMBL23093912 | 0.78 | HTR2C (0.40) | KDM4EALDH1A1LMNAPOLBHSP90AA1 | |
| SCHEMBL23110693 | 0.78 | ALPL (0.34) | ALDH1A1LMNAMAPTEPHX2EPHX1 | |
| SCHEMBL31430374 | 0.77 | DRD2 (0.44) | POLBCCR1 | |
| SCHEMBL23110743 | 0.74 | TRPM8 (0.36) | EPHX2EPHX1CYP2C9TRPM8 | |
| SCHEMBL3866662 | 0.74 | DRD2 (0.50) | EPHX2CYP2D6CYP2C9CCR1KCNH2 | |
| SCHEMBL2341136 | 0.74 | EPHX2 (0.43) | KDM4EALDH1A1LMNAGAAMAPT |
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 |