Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21636026 | 0.95 | MAPK1 (0.46) | MAPK1CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL26042560 | 0.95 | MAPK1 (0.46) | MAPK1CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL21636086 | 0.95 | MAPK1 (0.46) | MAPK1CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL20227635 | 0.95 | MAPK1 (0.46) | MAPK1CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL21636107 | 0.94 | MAPK1 (0.45) | MAPK1CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL21636042 | 0.94 | MAPK1 (0.50) | MAPK1CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL21636025 | 0.93 | MAPK1 (0.44) | MAPK1CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL21636091 | 0.91 | MAPK1 (0.47) | MAPK1CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL20227624 | 0.90 | MAPK1 (0.59) | MAPK1CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL15999733 | 0.90 | MAPK1 (0.59) | MAPK1CYP1A2CYP2C9CYP2C19MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3823958-B1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2023-08-23 | — | — | EP | disclosed |
| WO-2020016264-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2020-01-23 | — | — | WO | disclosed |