Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 3/20 | 0.70 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.64 |
| ▸ | IRAK4 | Q9NWZ3 | 9/20 | 0.61 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.60 |
| ▸ | MEN1 | O00255 | 2/20 | 0.60 |
| ▸ | TSHR | P16473 | 2/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.60 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.60 |
| ▸ | USP2 | O75604 | 1/20 | 0.60 |
| ▸ | LMNA | P02545 | 1/20 | 0.60 |
| ▸ | TP53 | P04637 | 1/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.60 |
| ▸ | ITK | Q08881 | 3/20 | 0.59 |
| ▸ | CLK2 | P49760 | 2/20 | 0.58 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.58 |
| ▸ | CDK9 | P50750 | 1/20 | 0.58 |
| ▸ | MST1R | Q04912 | 1/20 | 0.58 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.55 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL30163829 | 1.00 | OPRK1 (0.70) | OPRK1MAP3K7IRAK4EHMT2KDM4E | |
| SCHEMBL24845489 | 1.00 | OPRK1 (0.70) | OPRK1MAP3K7IRAK4EHMT2KDM4E | |
| SCHEMBL30163744 | 1.00 | OPRK1 (0.70) | OPRK1MAP3K7IRAK4EHMT2KDM4E | |
| SCHEMBL30163651 | 0.95 | OPRK1 (0.65) | OPRK1MAP3K7IRAK4EHMT2KDM4E | |
| SCHEMBL24845522 | 0.91 | OPRK1 (0.71) | OPRK1MAP3K7IRAK4EHMT2KDM4E | |
| SCHEMBL24845486 | 0.91 | OPRK1 (0.71) | OPRK1MAP3K7IRAK4EHMT2KDM4E | |
| SCHEMBL30163691 | 0.91 | OPRK1 (0.71) | OPRK1MAP3K7IRAK4EHMT2KDM4E | |
| SCHEMBL30163668 | 0.91 | OPRK1 (0.71) | OPRK1MAP3K7IRAK4EHMT2KDM4E | |
| SCHEMBL24845491 | 0.89 | MAP3K7 (0.64) | OPRK1MAP3K7IRAK4EHMT2KDM4E | |
| SCHEMBL24845520 | 0.89 | MAP3K7 (0.64) | OPRK1MAP3K7IRAK4EHMT2KDM4E |
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 |