Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.37 |
| ▸ | ATM | Q13315 | 2/20 | 0.37 |
| ▸ | PTGES | O14684 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | HPGD | P15428 | 4/20 | 0.34 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.33 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.32 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.32 |
| ▸ | TUBB | P07437 | 1/20 | 0.32 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.32 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.32 |
| ▸ | TUBA4A | P68366 | 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 | |
|---|---|---|---|---|
| SCHEMBL22989080 | 0.90 | KDM4E (0.38) | KDM4EL3MBTL1ATMPTGESALDH1A1 | |
| SCHEMBL22988974 | 0.87 | KDM4E (0.36) | KDM4EL3MBTL1ATMPTGESALDH1A1 | |
| SCHEMBL19769798 | 0.85 | KDM4E (0.35) | KDM4EL3MBTL1ATMALDH1A1HPGD | |
| SCHEMBL17246674 | 0.85 | KDM4E (0.40) | KDM4EL3MBTL1ATMALDH1A1HPGD | |
| SCHEMBL17246665 | 0.85 | L3MBTL1 (0.42) | KDM4EL3MBTL1ATMALDH1A1HPGD | |
| SCHEMBL16283228 | 0.84 | L3MBTL1 (0.38) | KDM4EL3MBTL1ATMPTGESALDH1A1 | |
| SCHEMBL16283285 | 0.84 | L3MBTL1 (0.38) | KDM4EL3MBTL1ATMPTGESALDH1A1 | |
| SCHEMBL15197806 | 0.84 | PTGES (0.41) | KDM4EL3MBTL1ATMPTGESALDH1A1 | |
| SCHEMBL20821756 | 0.84 | KDM4E (0.34) | KDM4EL3MBTL1ATMALDH1A1HPGD | |
| SCHEMBL17904157 | 0.84 | KDM4E (0.39) | KDM4EL3MBTL1ATMALDH1A1HPGD |
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 |