Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 1/20 | 0.32 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.32 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | FYN | P06241 | 1/20 | 0.30 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.30 |
| ▸ | AHR | P35869 | 1/20 | 0.30 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.30 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.30 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22766997 | 0.96 | PDPK1 (0.33) | PDPK1PTGER4CYP1A1CYP1A2FYN | |
| SCHEMBL22766998 | 0.93 | CYP1A2 (0.33) | PDPK1CYP1A1CYP1A2FYNMAPK3 | |
| SCHEMBL22762418 | 0.93 | PTGER4 (0.34) | PDPK1PTGER4CYP1A1CYP1A2FYN | |
| SCHEMBL22762164 | 0.91 | PDPK1 (0.32) | PDPK1CYP1A1 | |
| SCHEMBL24152519 | 0.91 | SIRT2 (0.37) | PDPK1CYP1A1CYP1A2FYNMAPK3 | |
| SCHEMBL22767165 | 0.89 | PDPK1 (0.32) | PDPK1SIRT2SIRT1 | |
| SCHEMBL22767027 | 0.89 | SIRT2 (0.31) | PDPK1PTGER4SIRT2SIRT1 | |
| SCHEMBL23203582 | 0.89 | SIRT2 (0.36) | PDPK1CYP1A1CYP1A2FYNMAPK3 | |
| SCHEMBL22767002 | 0.88 | ALDH1A1 (0.33) | TDP1L3MBTL1 | |
| SCHEMBL22766999 | 0.88 | CHEK2 (0.34) | PTGER4CYP1A1CYP1A2FYNMAPK3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020246835-A9 | NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME | 주식회사 엘지화학 | 2021-06-03 | — | — | WO | disclosed |
| WO-2020246835-A1 | NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME | 주식회사 엘지화학 | 2020-12-10 | — | — | WO | disclosed |