Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.56 |
| ▸ | HPGD | P15428 | 4/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.56 |
| ▸ | THRB | P10828 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
| ▸ | ACHE | P22303 | 2/20 | 0.46 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.46 |
| ▸ | FYN | P06241 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | AHR | P35869 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 4/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | JAK3 | P52333 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL24245560 | 0.86 | ATM (0.50) | ALDH1A1HSD17B10L3MBTL1KDM4EATM | |
| SCHEMBL13086954 | 0.84 | ATM (0.56) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| SCHEMBL13086818 | 0.84 | L3MBTL1 (0.57) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| SCHEMBL16021440 | 0.84 | ATM (0.54) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| SCHEMBL24245675 | 0.83 | ALDH1A1 (0.45) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| SCHEMBL16788697 | 0.82 | KDM4E (0.41) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| SCHEMBL17989762 | 0.81 | L3MBTL1 (0.59) | ALDH1A1HSD17B10L3MBTL1KDM4EATM | |
| SCHEMBL19359915 | 0.81 | KDM4E (0.53) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| SCHEMBL25806798 | 0.81 | ATM (0.53) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| SCHEMBL17989771 | 0.81 | L3MBTL1 (0.63) | ALDH1A1HSD17B10L3MBTL1KDM4EATM |
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-2014098455-A1 | NOVEL ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME | 주식회사 두산 (KR) | 2014-06-26 | — | — | WO | disclosed |