Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 5/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.39 |
| ▸ | GRM5 | P41594 | 1/20 | 0.39 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.37 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.37 |
| ▸ | WNT3A | P56704 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL22562384 | 0.96 | ADORA2A (0.39) | TGFBR1ADORA2AADORA1ADORA2BGRM5 | |
| SCHEMBL23296383 | 0.91 | TGFBR1 (0.40) | TGFBR1ADORA2AADORA1ALDH1A1KMT2A | |
| SCHEMBL21546805 | 0.86 | ALDH1A3 (0.46) | ADORA2AADORA1ADORA2BALDH1A3ALDH1A1 | |
| SCHEMBL23296293 | 0.85 | IRAK4 (0.37) | TGFBR1ADORA2AADORA1HIF1A | |
| SCHEMBL22562313 | 0.85 | METAP2 (0.37) | TGFBR1 | |
| SCHEMBL22562197 | 0.85 | TGFBR1 (0.37) | TGFBR1ALDH1A1 | |
| SCHEMBL21547025 | 0.85 | MAP4K4 (0.43) | ADORA2AADORA1ADORA2BALDH1A3ALDH1A1 | |
| SCHEMBL22562530 | 0.83 | ALDH1A3 (0.41) | ADORA2AADORA1ADORA2BGRM5ALDH1A3 | |
| SCHEMBL21546828 | 0.83 | CYP1A2 (0.39) | ADORA2AADORA1ADORA2BGRM5ALDH1A3 | |
| SCHEMBL21546834 | 0.83 | GRIA2 (0.39) | ADORA2AADORA1ADORA2BALDH1A3ALDH1A1 |
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-3418278-B1 | ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES | CYNORA GMBH (DE) | 2020-10-21 | — | — | EP | disclosed |