Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 12/20 | 0.49 |
| ▸ | CYP1B1 | Q16678 | 12/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 11/20 | 0.49 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | HTT | P42858 | 3/20 | 0.45 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | HPGD | P15428 | 4/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | PDE5A | O76074 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL24210567 | 0.88 | CYP1B1 (0.48) | CYP1A1CYP1B1CYP1A2MAPTHTT | |
| SCHEMBL24028513 | 0.87 | KMT2A (0.43) | CYP1A1CYP1B1CYP1A2MAPTHTT | |
| SCHEMBL24028817 | 0.83 | L3MBTL1 (0.51) | CYP1A1CYP1B1CYP1A2MAPTHTT | |
| SCHEMBL24028828 | 0.81 | AHR (0.44) | CYP1A1CYP1B1CYP1A2MAPTPAX8 | |
| SCHEMBL23597240 | 0.80 | CYP1A2 (0.43) | CYP1A1CYP1B1CYP1A2MAPTHTT | |
| SCHEMBL30133063 | 0.80 | CYP1A2 (0.43) | CYP1A1CYP1B1CYP1A2MAPTHTT | |
| SCHEMBL22315500 | 0.80 | CYP1A2 (0.43) | CYP1A1CYP1B1CYP1A2MAPTHTT | |
| SCHEMBL24029169 | 0.80 | AHR (0.44) | CYP1A1CYP1B1CYP1A2PAX8ALDH1A1 | |
| SCHEMBL23168847 | 0.78 | CYP1A1 (0.46) | CYP1A1CYP1B1CYP1A2MAPTHTT | |
| SCHEMBL30133069 | 0.78 | CYP1A1 (0.46) | CYP1A1CYP1B1CYP1A2MAPTHTT |
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 |