Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.38 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.38 |
| ▸ | FYN | P06241 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | AHR | P35869 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | HPRT1 | P00492 | 3/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17864117 | 0.95 | MAPT (0.38) | CYP1A2ACHEERBB2FYNMAOA | |
| SCHEMBL13086904 | 0.94 | MAPT (0.41) | CYP1A2ACHEFYNAHRALDH1A1 | |
| SCHEMBL22211837 | 0.91 | MAPT (0.40) | CYP1A2ACHEERBB2FYNMAOA | |
| SCHEMBL20226307 | 0.91 | MAPT (0.38) | ACHEALDH1A1HPGDMAPTKDM4E | |
| SCHEMBL13183587 | 0.90 | MAPT (0.42) | ACHEALDH1A1HPGDHSD17B10MAPT | |
| SCHEMBL22211874 | 0.89 | PTGES (0.39) | CYP1A2ACHEALDH1A1HPGDHSD17B10 | |
| SCHEMBL13086986 | 0.88 | MAPT (0.43) | CYP1A2ACHEFYNAHRALDH1A1 | |
| SCHEMBL12175712 | 0.88 | MEN1 (0.42) | CYP1A2ACHEALDH1A1HPGDMAPT | |
| SCHEMBL20314055 | 0.87 | MAPT (0.46) | CYP1A2ACHEFYNAHRALDH1A1 | |
| SCHEMBL19266571 | 0.86 | CYP1B1 (0.39) | ACHEALDH1A1HPGDHSD17B10MAPT |
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-2016099037-A2 | ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME | 주식회사 두산 | 2016-06-23 | — | — | WO | disclosed |