Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 4/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | PLA2G2A | P14555 | 2/20 | 0.38 |
| ▸ | PLA2G4A | P47712 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | MMP12 | P39900 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27361317 | 0.94 | CYP1A1 (0.44) | CYP1A1CYP1B1CYP1A2ALDH1A1KDM4E | |
| SCHEMBL20706096 | 0.93 | KDM4E (0.43) | CYP1A2ALDH1A1KDM4ETP53HSD17B10 | |
| SCHEMBL23079227 | 0.93 | KDM4E (0.43) | CYP1A2ALDH1A1KDM4ETP53HSD17B10 | |
| SCHEMBL24239199 | 0.92 | CYP1A1 (0.43) | CYP1A1CYP1B1CYP1A2ALDH1A1KDM4E | |
| SCHEMBL25681476 | 0.91 | ALDH1A1 (0.38) | CYP1A1CYP1B1CYP1A2ALDH1A1KDM4E | |
| SCHEMBL22879968 | 0.91 | CYP1A1 (0.43) | CYP1A1CYP1B1CYP1A2ALDH1A1KDM4E | |
| SCHEMBL22070026 | 0.91 | PLA2G2A (0.42) | CYP1A1CYP1B1CYP1A2ALDH1A1KDM4E | |
| SCHEMBL24123277 | 0.91 | MAPT (0.41) | CYP1A1CYP1B1CYP1A2ALDH1A1KDM4E | |
| SCHEMBL22879984 | 0.91 | PGR (0.43) | CYP1A1CYP1B1CYP1A2ALDH1A1KDM4E | |
| SCHEMBL23845732 | 0.91 | HCRTR1 (0.43) | CYP1A1CYP1B1CYP1A2ALDH1A1KDM4E |
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-2021182834-A1 | NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME | 주식회사 엘지화학 | 2021-09-16 | — | — | WO | disclosed |
| WO-2021182833-A1 | NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME | 주식회사 엘지화학 | 2021-09-16 | — | — | WO | disclosed |