Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 5/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | BIRC5 | O15392 | 1/20 | 0.39 |
| ▸ | LIMK1 | P53667 | 4/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.34 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HK1 | P19367 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | HKDC1 | Q2TB90 | 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 | |
|---|---|---|---|---|
| SCHEMBL17740695 | 0.89 | CYP1A1 (0.45) | CYP1A1CYP1B1CYP1A2BIRC5LIMK1 | |
| SCHEMBL22688528 | 0.89 | ALOX5 (0.43) | CYP1A1CYP1B1CYP1A2BIRC5LIMK1 | |
| SCHEMBL17382978 | 0.88 | CYP1A1 (0.42) | CYP1A1CYP1B1CYP1A2LIMK1MAOB | |
| SCHEMBL17356224 | 0.88 | CYP1B1 (0.49) | CYP1A1CYP1B1CYP1A2LIMK1ALOX5 | |
| SCHEMBL22688539 | 0.87 | ALOX5 (0.42) | CYP1A1CYP1B1CYP1A2BIRC5MAOA | |
| SCHEMBL17382680 | 0.85 | CYP2A6 (0.44) | CYP1A1CYP1B1CYP1A2ALDH1A1MAPT | |
| SCHEMBL22688473 | 0.83 | ALDH1A1 (0.43) | CYP1A1CYP1B1CYP1A2BIRC5MAOA | |
| SCHEMBL13563073 | 0.82 | CYP1B1 (0.48) | CYP1A1CYP1B1CYP1A2LIMK1ALOX5 | |
| SCHEMBL17247204 | 0.82 | CYP1A1 (0.49) | CYP1A1CYP1B1CYP1A2LIMK1ALOX5 | |
| SCHEMBL17247186 | 0.82 | CYP1A1 (0.49) | CYP1A1CYP1B1CYP1A2LIMK1ALOX5 |
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 |