Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 5/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL22337116 | 0.90 | CYP1A1 (0.44) | CYP1A1CYP1B1CYP1A2CYP2A6HCRTR1 | |
| SCHEMBL17382680 | 0.87 | CYP2A6 (0.44) | CYP1A1CYP1B1CYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL13226080 | 0.84 | CYP1A1 (0.49) | CYP1A1CYP1B1CYP1A2HCRTR1ALDH1A1 | |
| SCHEMBL490641 | 0.80 | KDM4E (0.54) | CYP1A2HCRTR1ALDH1A1LMNAPOLB | |
| SCHEMBL17383062 | 0.80 | CYP2A6 (0.42) | CYP1A1CYP1B1CYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL22337262 | 0.80 | KDM4E (0.43) | CYP2A6ALDH1A1MAPTL3MBTL1MEN1 | |
| SCHEMBL30960396 | 0.80 | CYP2A6 (0.42) | CYP1A1CYP1B1CYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL19642408 | 0.79 | KDM4E (0.40) | CYP1A1CYP1B1HCRTR1ALDH1A1LMNA | |
| SCHEMBL5094726 | 0.78 | EGFR (0.41) | CYP1A2ALDH1A1LMNAPOLBMAPT | |
| SCHEMBL5019819 | 0.78 | HSP90AA1 (0.43) | CYP1A2CYP2A6ALDH1A1MAPTL3MBTL1 |
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-2020162703-A1 | NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME | 주식회사 엘지화학 | 2020-08-13 | — | — | WO | disclosed |