Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 10/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 10/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 9/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | HTT | P42858 | 4/20 | 0.46 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | HPGD | P15428 | 4/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.44 |
| ▸ | PRKDC | P78527 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | PDE5A | O76074 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL20696412 | 0.79 | CYP1A1 (0.45) | CYP1A1CYP1B1CYP1A2MAPTHTT | |
| SCHEMBL30154375 | 0.78 | HPRT1 (0.57) | CYP1A1CYP1B1CYP1A2MAPTHTT | |
| SCHEMBL5470220 | 0.78 | HPRT1 (0.57) | CYP1A1CYP1B1CYP1A2MAPTHTT | |
| SCHEMBL441697 | 0.78 | AHR (0.48) | MAPTKMT2AKDM4EALDH1A1HPGD | |
| SCHEMBL24958151 | 0.76 | TDP1 (0.47) | CYP1A1CYP1B1CYP1A2MAPTHTT | |
| SCHEMBL31318775 | 0.76 | MAOA (0.47) | CYP1A1CYP1B1CYP1A2MAPTKMT2A | |
| SCHEMBL24955997 | 0.76 | CYP1A1 (0.45) | CYP1A1CYP1B1CYP1A2MAPTHTT | |
| SCHEMBL20696169 | 0.76 | CYP1A1 (0.42) | CYP1A1CYP1B1CYP1A2MAPTHTT | |
| SCHEMBL30639216 | 0.76 | PTPN1 (0.42) | CYP1A1CYP1B1CYP1A2KMT2ACYP3A4 | |
| SCHEMBL22283935 | 0.74 | CYP1A2 (0.54) | 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-2023287252-A1 | NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME | 주식회사 엘지화학 | 2023-01-19 | — | — | WO | disclosed |