Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGER4 | P35408 | 1/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.36 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.36 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.36 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TDO2 | P48775 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 2/20 | 0.35 |
| ▸ | XDH | P47989 | 1/20 | 0.34 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21546928 | 0.96 | ADORA2A (0.40) | MAP4K4PTPN5ADORA2AADORA1ALDH1A3 | |
| SCHEMBL22760703 | 0.96 | MAP4K4 (0.40) | PTGER4MAP4K4PTPN5ADORA2AADORA1 | |
| SCHEMBL21546765 | 0.95 | MAP4K4 (0.40) | MAP4K4PTPN5ADORA2AADORA1ALDH1A3 | |
| SCHEMBL22760894 | 0.94 | MAP4K4 (0.38) | PTGER4MAP4K4PTPN5ADORA2AADORA1 | |
| SCHEMBL21546763 | 0.94 | ADORA2A (0.39) | MAP4K4PTPN5ADORA2AADORA1ALDH1A3 | |
| SCHEMBL21546482 | 0.93 | ADORA2A (0.38) | MAP4K4PTPN5ADORA2AADORA1ALDH1A3 | |
| SCHEMBL21414181 | 0.93 | PTGER4 (0.37) | PTGER4MAP4K4PGRALDH1A1RORC | |
| SCHEMBL21546441 | 0.93 | ADORA1 (0.42) | MAP4K4PTPN5ADORA2AADORA1ALDH1A3 | |
| SCHEMBL21547025 | 0.91 | MAP4K4 (0.43) | MAP4K4PTPN5ADORA2AADORA1ALDH1A3 | |
| SCHEMBL21546457 | 0.91 | ADORA2A (0.42) | MAP4K4PTPN5ADORA2AADORA1ALDH1A3 |
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 |