Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRG2 | P18507 | 2/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL21546804 | 0.97 | GABRG2 (0.44) | GABRG2GABRB3GABRA5GABRA3GABRA1 | |
| SCHEMBL21414307 | 0.95 | GABRA1 (0.35) | GABRG2GABRB3GABRA5GABRA3GABRA1 | |
| SCHEMBL21546802 | 0.94 | GABRG2 (0.41) | GABRG2GABRB3GABRA5GABRA3GABRA1 | |
| SCHEMBL21546803 | 0.91 | GABRG2 (0.44) | GABRG2GABRB3GABRA5GABRA3GABRA1 | |
| SCHEMBL22760928 | 0.91 | GABRG2 (0.37) | GABRG2GABRB3GABRA5GABRA3GABRA1 | |
| SCHEMBL21547024 | 0.89 | GABRG2 (0.39) | GABRG2GABRB3GABRA5GABRA3GABRA1 | |
| SCHEMBL21546779 | 0.89 | GABRG2 (0.42) | GABRG2GABRB3GABRA5GABRA3GABRA1 | |
| SCHEMBL22760925 | 0.89 | GABRG2 (0.42) | GABRG2GABRB3GABRA5GABRA3GABRA1 | |
| SCHEMBL21414308 | 0.89 | GABRG2 (0.35) | GABRG2GABRB3GABRA5GABRA3GABRA1 | |
| SCHEMBL19909400 | 0.89 | ALDH1A3 (0.45) | GABRG2GABRB3GABRA5GABRA3GABRA1 |
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-3478793-B1 | ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES | CYNORA GMBH (DE) | 2019-11-06 | — | — | EP | disclosed |