Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.36 |
| ▸ | ATM | Q13315 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | CASP7 | P55210 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20114816 | 0.96 | ALDH1A1 (0.37) | ALDH1A1KDM4EL3MBTL1HPGDLMNA | |
| SCHEMBL20114380 | 0.92 | KMT2A (0.37) | ALDH1A1KDM4EL3MBTL1HPGDLMNA | |
| SCHEMBL20114131 | 0.91 | ALDH1A1 (0.39) | ALDH1A1KDM4EL3MBTL1HPGDLMNA | |
| SCHEMBL20114764 | 0.90 | ALDH1A1 (0.38) | ALDH1A1KDM4EL3MBTL1HPGDLMNA | |
| SCHEMBL22145810 | 0.90 | ALDH1A1 (0.39) | ALDH1A1KDM4EL3MBTL1HPGDLMNA | |
| SCHEMBL20114251 | 0.89 | KDM4E (0.31) | KDM4EL3MBTL1ATM | |
| SCHEMBL20114208 | 0.88 | ALDH1A1 (0.34) | ALDH1A1KDM4EL3MBTL1HPGDLMNA | |
| SCHEMBL22146145 | 0.87 | ALDH1A1 (0.37) | ALDH1A1KDM4EL3MBTL1HPGDLMNA | |
| SCHEMBL20208723 | 0.87 | ALDH1A1 (0.34) | ALDH1A1KDM4EL3MBTL1HPGDLMNA | |
| SCHEMBL20065714 | 0.87 | ALDH1A1 (0.35) | ALDH1A1KDM4EL3MBTL1HPGDLMNA |
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-2018080067-A1 | ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING SAME | 주식회사 두산 | 2018-05-03 | — | — | WO | disclosed |