Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K7 | O43318 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | EHMT2 | Q96KQ7 | 2/20 | 0.40 |
| ▸ | EHMT1 | Q9H9B1 | 1/20 | 0.40 |
| ▸ | ITK | Q08881 | 2/20 | 0.40 |
| ▸ | IRAK4 | Q9NWZ3 | 5/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | STING1 | Q86WV6 | 3/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | CLK2 | P49760 | 1/20 | 0.38 |
| ▸ | CDK9 | P50750 | 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 | |
|---|---|---|---|---|
| SCHEMBL30163826 | 1.00 | MAP3K7 (0.41) | MAP3K7EGFREHMT2EHMT1ITK | |
| SCHEMBL24845818 | 0.82 | OPRK1 (0.47) | MAP3K7EHMT2EHMT1ITKIRAK4 | |
| SCHEMBL29154814 | 0.81 | EHMT2 (0.48) | MAP3K7EHMT2EHMT1ITKIRAK4 | |
| SCHEMBL30163798 | 0.81 | EHMT2 (0.48) | MAP3K7EHMT2EHMT1ITKIRAK4 | |
| SCHEMBL30163713 | 0.81 | STING1 (0.55) | EGFRIRAK4STING1ADORA2AOPRK1 | |
| SCHEMBL24845162 | 0.81 | STING1 (0.55) | EGFRIRAK4STING1ADORA2AOPRK1 | |
| SCHEMBL24845491 | 0.77 | MAP3K7 (0.64) | MAP3K7EHMT2EHMT1ITKIRAK4 | |
| SCHEMBL24845520 | 0.77 | MAP3K7 (0.64) | MAP3K7EHMT2EHMT1ITKIRAK4 | |
| SCHEMBL30163791 | 0.77 | MAP3K7 (0.64) | MAP3K7EHMT2EHMT1ITKIRAK4 | |
| SCHEMBL30163769 | 0.77 | MAP3K7 (0.64) | MAP3K7EHMT2EHMT1ITKIRAK4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117561262-A | Macrocyclic TAK1 inhibitors | 阿奎利恩有限公司 | 2024-02-13 | — | — | CN | disclosed |
| WO-2023275199-A1 | MACROCYCLIC TAK1 INHIBITORS | AQILION AB (SE) | 2023-01-05 | — | — | WO | disclosed |