Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALPL | P05186 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 6/20 | 0.34 |
| ▸ | CA2 | P00918 | 6/20 | 0.34 |
| ▸ | CA7 | P43166 | 6/20 | 0.34 |
| ▸ | CA9 | Q16790 | 6/20 | 0.34 |
| ▸ | TRPM8 | Q7Z2W7 | 5/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23110743 | 0.89 | TRPM8 (0.36) | CA1CA2CA7CA9TRPM8 | |
| SCHEMBL23110722 | 0.83 | MAPT (0.42) | CA1CA2CA7CA9LMNA | |
| SCHEMBL23110785 | 0.82 | GPR119 (0.42) | CA1CA2CA7CA9LMNA | |
| SCHEMBL23110701 | 0.78 | KDM4E (0.42) | TRPM8LMNAALDH1A1EPHX2CYP2C9 | |
| SCHEMBL19030442 | 0.77 | AKR1B1 (0.38) | CA1CA2CA7CA9TRPM8 | |
| SCHEMBL23110710 | 0.76 | ALDH1A1 (0.36) | CA1CA2CA7CA9ALDH1A1 | |
| SCHEMBL25204704 | 0.74 | ESR1 (0.45) | LMNAALDH1A1MAPK1CYP3A4CYP2C9 | |
| SCHEMBL19030530 | 0.73 | GPR119 (0.43) | CA1CA2CA7CA9LMNA | |
| SCHEMBL2342130 | 0.72 | EPHX2 (0.54) | TRPM8LMNAALDH1A1EPHX2CYP2C9 | |
| SCHEMBL23110742 | 0.72 | IRAK4 (0.40) | LMNAALDH1A1 |
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 |