Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.38 |
| ▸ | FYN | P06241 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | AHR | P35869 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | HPGD | P15428 | 4/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | CASP1 | P29466 | 2/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CASP7 | P55210 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL22706182 | 0.90 | CYP1A2 (0.36) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL22706183 | 0.87 | CYP1A2 (0.38) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL22706773 | 0.84 | L3MBTL1 (0.39) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL22706904 | 0.84 | KDM4E (0.35) | MAOACES1ALDH1A1HPGDKDM4E | |
| SCHEMBL22707763 | 0.83 | MAPT (0.36) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL22707157 | 0.83 | KDM4E (0.36) | MAOACES1ALDH1A1HPGDKDM4E | |
| SCHEMBL22707530 | 0.81 | CES1 (0.42) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL22707557 | 0.80 | HSD17B1 (0.36) | CYP1A2ALDH1A1HPGDTSHRHIF1A | |
| SCHEMBL22707998 | 0.79 | ALOX5 (0.36) | CES1ALDH1A1HPGDKDM4EMEN1 | |
| SCHEMBL22707555 | 0.77 | KDM4E (0.36) | ACHEALDH1A1HPGDHSD17B10THRB |
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 |
|---|---|---|---|---|---|---|---|
| US-20200373496-A1 | ORGANIC LIGHT EMITTING ELEMENT | LG CHEM, LTD. (KR) | 2020-11-26 | — | — | US | disclosed |