Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 4/20 | 0.42 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.42 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | FYN | P06241 | 1/20 | 0.42 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HNF4A | P41235 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL24028978 | 0.86 | TDP1 (0.36) | AHRABCG2PAX8CYP1A1CYP1A2 | |
| SCHEMBL24028828 | 0.83 | AHR (0.44) | AHRABCG2PAX8CYP1A1CYP1A2 | |
| SCHEMBL24028513 | 0.82 | KMT2A (0.43) | ABCG2PAX8CYP1A1CYP1A2TDP1 | |
| SCHEMBL24028980 | 0.80 | MAPT (0.32) | AHRABCG2PAX8CYP1A1CYP1A2 | |
| SCHEMBL24028817 | 0.78 | L3MBTL1 (0.51) | AHRABCG2PAX8CYP1A1CYP1A2 | |
| SCHEMBL23692495 | 0.76 | TDP1 (0.41) | AHRABCG2PAX8CYP1A1CYP1A2 | |
| SCHEMBL21648456 | 0.76 | ABCG2 (0.44) | AHRABCG2PAX8CYP1A1CYP1A2 | |
| SCHEMBL24029169 | 0.75 | AHR (0.44) | AHRABCG2PAX8CYP1A1CYP1A2 | |
| SCHEMBL415466 | 0.75 | TDP1 (0.55) | AHRABCG2PAX8CYP1A1CYP1A2 | |
| SCHEMBL30091394 | 0.75 | TDP1 (0.55) | AHRABCG2PAX8CYP1A1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021230654-A1 | NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME | 주식회사 엘지화학 | 2021-11-18 | — | — | WO | disclosed |