Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.36 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.36 |
| ▸ | AKT1 | P31749 | 1/20 | 0.35 |
| ▸ | AAK1 | Q2M2I8 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | NISCH | Q9Y2I1 | 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 | |
|---|---|---|---|---|
| SCHEMBL21524663 | 0.84 | SLC6A2 (0.58) | GAASLC6A2SLC6A4SLC6A3RIPK1 | |
| SCHEMBL3424021 | 0.82 | SLC6A2 (0.42) | CYP3A4CYP2C19CYP19A1GAASLC6A2 | |
| SCHEMBL23689570 | 0.82 | SLC6A2 (0.42) | CYP3A4CYP2C19CYP19A1GAASLC6A2 | |
| SCHEMBL29173242 | 0.80 | CYP3A4 (0.40) | CYP3A4CYP2C19CYP19A1GAASLC6A2 | |
| SCHEMBL11094130 | 0.80 | TRPA1 (0.46) | CYP3A4CYP2C19CYP19A1GAASLC6A2 | |
| Hydrochloric Acid SCHEMBL16774806 | 0.80 | SLC6A2 (0.41) | CYP3A4CYP2C19CYP19A1GAASLC6A2 | |
| SCHEMBL1677876 | 0.80 | LOXL2 (0.41) | CYP3A4CYP2C19GAASLC6A2SLC6A4 | |
| SCHEMBL20845536 | 0.79 | CYP3A4 (0.36) | CYP3A4CYP2C19CYP19A1GAASLC6A2 | |
| SCHEMBL23689572 | 0.79 | CYP3A4 (0.43) | CYP3A4CYP2C19CYP19A1GAASLC6A2 | |
| SCHEMBL21100871 | 0.78 | MAPT (0.46) | CYP3A4CYP2C19GAASLC6A2SLC6A4 |
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-3670504-A1 | COMPOUND AND AN ORGANIC SEMICONDUCTING LAYER, AN ORGANIC ELECTRONIC DEVICE AND A DISPLAY DEVICE COMPRISING THE SAME | Novaled GmbH (DE) | 2020-06-24 | — | — | EP | disclosed |