Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDO2 | P48775 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | DHFR | P00374 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | NUDT1 | P36639 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20687339 | 0.80 | TDO2 (0.43) | TDO2ALOX5DHFRTAAR1NUDT1 | |
| SCHEMBL19163762 | 0.80 | TDO2 (0.43) | TDO2ALOX5DHFRTAAR1NUDT1 | |
| SCHEMBL14907136 | 0.79 | TDO2 (0.46) | TDO2ALOX5DHFRTAAR1NUDT1 | |
| SCHEMBL3561173 | 0.76 | ALDH1A1 (0.58) | TDO2ALOX5DHFRTAAR1NUDT1 | |
| SCHEMBL27353355 | 0.73 | CNR1 (0.41) | ESR2 | |
| SCHEMBL5947991 | 0.73 | GABRP (0.41) | TDO2ALOX5TAAR1KMT2AMEN1 | |
| SCHEMBL25368058 | 0.73 | ALDH1A1 (0.46) | ALOX5KMT2AMEN1SMN1; SMN2TSHR | |
| SCHEMBL4452357 | 0.72 | AHR (0.45) | TDO2ALOX5DHFRTAAR1NUDT1 | |
| SCHEMBL9862849 | 0.72 | NPC1 (0.50) | TDO2ALOX5DHFRTAAR1NUDT1 | |
| SCHEMBL24929014 | 0.72 | TDO2 (0.40) | TDO2ALOX5DHFRTAAR1NUDT1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3460863-B1 | COMPOUND INCLUDING NITROGEN AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME | SAMSUNG DISPLAY CO LTD (KR) | 2024-04-24 | — | — | EP | disclosed |
| CN-109516992-B | Nitrogen-containing compound and organic electroluminescent device comprising same | 三星显示有限公司 | 2023-04-07 | — | — | CN | disclosed |