Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 1/20 | 0.46 |
| ▸ | CDK4 | P11802 | 1/20 | 0.46 |
| ▸ | CCND1 | P24385 | 1/20 | 0.46 |
| ▸ | JAK2 | O60674 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | GPR3 | P46089 | 1/20 | 0.42 |
| ▸ | TOP2A | P11388 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | HTR5A | P47898 | 1/20 | 0.41 |
| ▸ | TDO2 | P48775 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.41 |
| ▸ | GABRA2 | P47869 | 3/20 | 0.41 |
| ▸ | GABRA6 | Q16445 | 3/20 | 0.41 |
| ▸ | KIF11 | P52732 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15786396 | 0.98 | AHR (0.47) | AHRCDK4CCND1JAK2ALDH1A1 | |
| SCHEMBL16809116 | 0.95 | AHR (0.50) | AHRCDK4CCND1JAK2ALDH1A1 | |
| SCHEMBL29513071 | 0.94 | AHR (0.52) | AHRCDK4CCND1ALDH1A1HSD17B10 | |
| SCHEMBL20210403 | 0.94 | AHR (0.52) | AHRCDK4CCND1ALDH1A1HSD17B10 | |
| SCHEMBL21320500 | 0.91 | MEN1 (0.45) | AHRCDK4CCND1JAK2ALDH1A1 | |
| SCHEMBL30477698 | 0.90 | HPGD (0.46) | AHRCDK4CCND1ALDH1A1HSD17B10 | |
| SCHEMBL15786393 | 0.90 | HPGD (0.46) | AHRCDK4CCND1ALDH1A1HSD17B10 | |
| SCHEMBL17918417 | 0.89 | AHR (0.47) | AHRCDK4CCND1JAK2ALDH1A1 | |
| SCHEMBL21096036 | 0.89 | AHR (0.57) | AHRCDK4CCND1JAK2ALDH1A1 | |
| SCHEMBL17166808 | 0.89 | AHR (0.57) | AHRCDK4CCND1JAK2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3015465-B1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME | LG CHEMICAL LTD (KR) | 2019-09-04 | — | — | EP | disclosed |