Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | TNKS | O95271 | 1/20 | 0.33 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | BMX | P51813 | 1/20 | 0.33 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.32 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.32 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16902209 | 0.82 | ALDH1A1 (0.43) | ALOX5ALDH1A1MAPTTNKSTNKS2 | |
| SCHEMBL16901974 | 0.82 | ALDH1A1 (0.37) | CYP1A1CYP1B1ALOX5ALDH1A1MAPT | |
| SCHEMBL16581302 | 0.82 | EGFR (0.34) | CYP1A2CYP1A1CYP1B1ALOX5ALDH1A1 | |
| SCHEMBL24036898 | 0.81 | EGFR (0.41) | CYP1A2CYP1A1CYP1B1ALOX5ALDH1A1 | |
| SCHEMBL24549303 | 0.80 | CYP1A2 (0.37) | CYP1A2CYP1A1CYP1B1ALOX5ALDH1A1 | |
| SCHEMBL30800708 | 0.80 | CYP1A2 (0.37) | CYP1A2CYP1A1CYP1B1ALOX5ALDH1A1 | |
| SCHEMBL24549306 | 0.79 | LIMK1 (0.40) | CYP1A2CYP1A1CYP1B1ALOX5PIM1 | |
| SCHEMBL30541544 | 0.79 | LIMK1 (0.40) | CYP1A2CYP1A1CYP1B1ALOX5PIM1 | |
| SCHEMBL25972634 | 0.79 | ALDH1A1 (0.37) | CYP1A1CYP1B1ALOX5ALDH1A1MAPT | |
| SCHEMBL16902377 | 0.79 | ADORA2A (0.39) | CYP1A2CYP1A1CYP1B1ALDH1A1MAPT |
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-2021029757-A1 | NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME | 주식회사 엘지화학 | 2021-02-18 | — | — | WO | disclosed |