Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | METAP2 | P50579 | 4/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21636036 | 0.88 | CYP2C19 (0.47) | CYP1A2CYP2C19HPGDCYP3A4GAA | |
| SCHEMBL28429237 | 0.84 | CYP1A2 (0.59) | CYP1A2CYP2C19HPGDCYP3A4GAA | |
| SCHEMBL21636033 | 0.80 | CYP1A2 (0.50) | CYP1A2CYP2C19HPGDCYP3A4GAA | |
| SCHEMBL28437664 | 0.80 | CYP1A2 (0.50) | CYP1A2CYP2C19HPGDCYP3A4GAA | |
| SCHEMBL28430750 | 0.80 | GAA (0.50) | CYP1A2CYP2C19HPGDCYP3A4GAA | |
| SCHEMBL28436842 | 0.80 | CYP1A2 (0.50) | CYP1A2CYP2C19HPGDCYP3A4GAA | |
| SCHEMBL21636034 | 0.78 | CYP1A2 (0.47) | CYP1A2CYP2C19HPGDCYP3A4GAA | |
| SCHEMBL26045874 | 0.78 | GAA (0.47) | CYP1A2CYP2C19HPGDCYP3A4GAA | |
| SCHEMBL28426491 | 0.78 | CYP1A2 (0.47) | CYP1A2CYP2C19HPGDCYP3A4GAA | |
| SCHEMBL28426493 | 0.77 | CYP1A2 (0.47) | CYP1A2CYP2C19HPGDCYP3A4GAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3823958-B1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2023-08-23 | — | — | EP | disclosed |