Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.40 |
| ▸ | BIRC5 | O15392 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.38 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | MAOA | P21397 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | TNKS | O95271 | 1/20 | 0.36 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | GPR3 | P46089 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL22688528 | 0.90 | ALOX5 (0.43) | ALOX5CYP1A1CYP1B1BIRC5EGFR | |
| SCHEMBL17740695 | 0.88 | CYP1A1 (0.45) | ALOX5CYP1A1CYP1B1BIRC5EGFR | |
| SCHEMBL22688184 | 0.87 | CYP1A1 (0.47) | ALOX5CYP1A1CYP1B1BIRC5EGFR | |
| SCHEMBL18553276 | 0.84 | CYP2A6 (0.44) | ALOX5CYP1A1CYP1B1EGFRTDO2 | |
| SCHEMBL22276533 | 0.82 | CYP1A1 (0.42) | ALOX5CYP1A1CYP1B1HSD17B1HSD17B2 | |
| SCHEMBL25833469 | 0.82 | ALOX5 (0.56) | ALOX5EGFRTDO2MAOAMAOB | |
| SCHEMBL17383052 | 0.82 | ALOX5 (0.46) | ALOX5BIRC5EGFRTDO2MAOA | |
| SCHEMBL29489064 | 0.81 | ALOX5 (0.58) | ALOX5BIRC5EGFRTDO2MAOA | |
| SCHEMBL1278213 | 0.81 | ALOX5 (0.58) | ALOX5BIRC5EGFRTDO2MAOA | |
| SCHEMBL24122808 | 0.81 | CYP1A1 (0.41) | ALOX5CYP1A1CYP1B1HSD17B1HSD17B2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020231197-A1 | ORGANIC ELECTRIC ELEMENT COMPRISING COMPOUND FOR ORGANIC ELECTRIC ELEMENT, AND ELECTRONIC DEVICE THEREOF | 덕산네오룩스 주식회사 | 2020-11-19 | — | — | WO | disclosed |