Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.55 |
| ▸ | HPGD | P15428 | 5/20 | 0.55 |
| ▸ | TSHR | P16473 | 4/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.55 |
| ▸ | CASP1 | P29466 | 2/20 | 0.55 |
| ▸ | HPRT1 | P00492 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.46 |
| ▸ | FYN | P06241 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | AHR | P35869 | 1/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1334963 | 0.87 | HSD17B10 (0.63) | ALDH1A1HSD17B10HPGDTSHRHIF1A | |
| SCHEMBL17300249 | 0.81 | ALDH1A1 (0.56) | ALDH1A1HSD17B10HPGDTSHRHIF1A | |
| SCHEMBL6771976 | 0.80 | HPRT1 (0.59) | ALDH1A1HSD17B10HPGDTSHRHIF1A | |
| SCHEMBL2844257 | 0.80 | HPRT1 (0.59) | ALDH1A1HSD17B10HPGDTSHRHIF1A | |
| SCHEMBL30531583 | 0.79 | HPRT1 (0.53) | ALDH1A1HSD17B10HPGDTSHRHIF1A | |
| Benzo[B]Fluoranthene SCHEMBL25399455 | 0.77 | ALDH1A1 (0.85) | ALDH1A1HSD17B10HPGDTSHRHIF1A | |
| SCHEMBL23741177 | 0.73 | ALDH1A1 (0.41) | ALDH1A1HSD17B10HPGDTSHRHIF1A | |
| SCHEMBL56035 | 0.73 | ALDH1A1 (0.65) | ALDH1A1HSD17B10HPGDTSHRL3MBTL1 | |
| SCHEMBL28351102 | 0.73 | ALDH1A1 (0.62) | ALDH1A1HSD17B10HPGDTSHRHIF1A | |
| SCHEMBL29521589 | 0.73 | ALDH1A1 (0.65) | ALDH1A1HSD17B10HPGDTSHRL3MBTL1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3339293-B1 | COMPOUND AND ORGANIC ELECTRONIC DEVICE COMPRISING SAME | LG CHEMICAL LTD (KR) | 2021-08-11 | — | — | EP | disclosed |
| EP-3339293-A1 | COMPOUND AND ORGANIC ELECTRONIC DEVICE COMPRISING SAME | LG Chem, Ltd. (KR) | 2018-06-27 | — | — | EP | disclosed |