Predicted protein targets (top 19)
| 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 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | CASP1 | P29466 | 2/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | ANPEP | P15144 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
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 | 0.89 | CYP1A2 (0.36) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL22706181 | 0.87 | CYP1A2 (0.38) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL22706144 | 0.87 | KCNQ3 (0.33) | MAOAALDH1A1HPGDHSD17B10TSHR | |
| SCHEMBL22707155 | 0.85 | ALDH1A1 (0.34) | CYP1A2MAOAALDH1A1HPGDHSD17B10 | |
| SCHEMBL22707534 | 0.84 | CES1 (0.41) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL22707556 | 0.82 | PIM1 (0.33) | CYP1A2ALDH1A1HPGDHSD17B10TSHR | |
| SCHEMBL22707570 | 0.82 | HSD17B1 (0.32) | ALDH1A1HPGDHSD17B10TSHRMAPK1 | |
| SCHEMBL22708010 | 0.81 | HDAC4 (0.35) | ALDH1A1HPGDHSD17B10TSHRMAPK1 | |
| SCHEMBL22707997 | 0.81 | ALOX5 (0.33) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL22706191 | 0.80 | HSP90AA1 (0.33) | ALDH1A1HPGDHSD17B10THRB |
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 |