Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K11 | Q16584 | 2/20 | 0.44 |
| ▸ | MAP3K9 | P80192 | 1/20 | 0.44 |
| ▸ | CDK5 | Q00535 | 4/20 | 0.40 |
| ▸ | CDK5R1 | Q15078 | 3/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.40 |
| ▸ | GSK3A | P49840 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | GABRP | O00591 | 2/20 | 0.39 |
| ▸ | GABRD | O14764 | 2/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.39 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.39 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.39 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.39 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.39 |
| ▸ | GABRE | P78334 | 2/20 | 0.39 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL22011438 | 0.85 | MAP3K11 (0.53) | MAP3K11MAP3K9CDK5CDK5R1DYRK1A | |
| SCHEMBL22011385 | 0.82 | MAP3K11 (0.53) | MAP3K11MAP3K9CDK5CDK5R1DYRK1A | |
| SCHEMBL17228831 | 0.76 | MAP3K11 (0.59) | MAP3K11MAP3K9CDK5CDK5R1DYRK1A | |
| SCHEMBL29506369 | 0.76 | MAP3K11 (0.59) | MAP3K11MAP3K9CDK5CDK5R1DYRK1A | |
| SCHEMBL30883881 | 0.76 | MAP3K11 (0.59) | MAP3K11MAP3K9CDK5CDK5R1DYRK1A | |
| SCHEMBL16835574 | 0.74 | PARP14 (0.45) | MAP3K11MAP3K9GABRPGABRDGABRA1 | |
| SCHEMBL19991873 | 0.74 | MAP3K11 (0.56) | MAP3K11MAP3K9CDK5CDK5R1DYRK1A | |
| SCHEMBL22011721 | 0.73 | MAP3K11 (0.47) | MAP3K11MAP3K9CDK5CDK5R1DYRK1A | |
| SCHEMBL18132858 | 0.72 | MAP3K11 (0.44) | MAP3K11MAP3K9CDK5CDK5R1DYRK1A | |
| SCHEMBL19546414 | 0.71 | CDK4 (0.48) | MAP3K11MAP3K9CDK5CDK5R1DYRK1A |
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-2021078831-A1 | COMPOUNDS THAT CAN BE USED IN AN ORGANIC ELECTRONIC DEVICE | MERCK PATENT GMBH (DE) | 2021-04-29 | — | — | WO | disclosed |