Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.58 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.58 |
| ▸ | PTPRC | P08575 | 1/20 | 0.52 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.52 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.46 |
| ▸ | BACE1 | P56817 | 1/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.44 |
| ▸ | DHODH | Q02127 | 1/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.42 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.42 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL20898128 | 1.00 | PTGS2 (0.58) | PTGS2PTGS1PTPRCPTPN1ACMSD | |
| SCHEMBL31067169 | 0.83 | PTPRC (0.52) | PTGS2PTGS1PTPRCPTPN1ACMSD | |
| SCHEMBL13615027 | 0.83 | PTPRC (0.52) | PTGS2PTGS1PTPRCPTPN1ACMSD | |
| SCHEMBL3755924 | 0.82 | PTGS2 (0.54) | PTGS2PTGS1ADORA2AADORA1NISCH | |
| SCHEMBL31161110 | 0.82 | PTGS2 (0.58) | PTGS2PTGS1ADORA2AADORA1CYP3A4 | |
| SCHEMBL397260 | 0.82 | PTGS2 (0.58) | PTGS2PTGS1ADORA2AADORA1CYP3A4 | |
| SCHEMBL31232639 | 0.82 | PTGS2 (0.58) | PTGS2PTGS1ADORA2AADORA1NISCH | |
| SCHEMBL3755926 | 0.82 | PTGS2 (0.58) | PTGS2PTGS1PDK2BRD4CREBBP | |
| SCHEMBL2138372 | 0.80 | APEX1 (0.57) | PTGS2PTGS1PTPRCPTPN1ACMSD | |
| SCHEMBL13439490 | 0.80 | PTPRC (0.57) | PTPRCPTPN1ACMSDBACE1TRPA1 |
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-3694849-B1 | ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES | SAMSUNG DISPLAY CO LTD (KR) | 2024-07-31 | — | — | EP | disclosed |