Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.35 |
| ▸ | GRM5 | P41594 | 2/20 | 0.34 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21546799 | 1.00 | ADORA2A (0.37) | ADORA2AADORA1GABRA1GABRG2GABRB3 | |
| SCHEMBL22760745 | 0.93 | ADORA2A (0.37) | ADORA2AADORA1GABRA1GABRG2GABRB3 | |
| SCHEMBL21546796 | 0.93 | ADORA2A (0.37) | ADORA2AADORA1GABRA1GABRG2GABRB3 | |
| SCHEMBL21546763 | 0.93 | ADORA2A (0.39) | ADORA2AADORA1GABRA1GABRG2GABRB3 | |
| SCHEMBL22760703 | 0.93 | MAP4K4 (0.40) | ADORA2AADORA1GABRA1GABRG2GABRB3 | |
| SCHEMBL22760653 | 0.92 | ADORA2A (0.35) | ADORA2AADORA1GABRA1GABRG2GABRB3 | |
| SCHEMBL21546457 | 0.92 | ADORA2A (0.42) | ADORA2AADORA1GABRA1GABRG2GABRB3 | |
| SCHEMBL21414276 | 0.91 | KDM4E (0.37) | KDM4EATML3MBTL1ALDH1A1HSD17B10 | |
| SCHEMBL21546928 | 0.90 | ADORA2A (0.40) | ADORA2AADORA1GABRA1GABRG2GABRB3 | |
| SCHEMBL22760894 | 0.90 | MAP4K4 (0.38) | ADORA2AADORA1GABRA1GABRG2GABRB3 |
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 |