Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | AHR | P35869 | 4/20 | 0.36 |
| ▸ | FYN | P06241 | 2/20 | 0.35 |
| ▸ | MAOA | P21397 | 2/20 | 0.35 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.34 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.34 |
| ▸ | HNF4A | P41235 | 1/20 | 0.33 |
| ▸ | PRKDC | P78527 | 3/20 | 0.33 |
| ▸ | XRCC6 | P12956 | 1/20 | 0.33 |
| ▸ | XRCC5 | P13010 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23487243 | 0.90 | CYP1A2 (0.44) | CYP1A2ALDH1A1HPGDTHRBHSD17B10 | |
| SCHEMBL23487246 | 0.85 | CYP1A2 (0.40) | CYP1A2ALDH1A1HPGDTHRBHSD17B10 | |
| SCHEMBL23487249 | 0.84 | CYP1A2 (0.39) | CYP1A2ALDH1A1HPGDTHRBHSD17B10 | |
| SCHEMBL23487247 | 0.83 | AHR (0.37) | CYP1A2ALDH1A1HPGDTHRBHSD17B10 | |
| SCHEMBL23487011 | 0.81 | AHR (0.37) | CYP1A2ALDH1A1HPGDTHRBHSD17B10 | |
| SCHEMBL23487251 | 0.80 | CYP1A2 (0.43) | CYP1A2ALDH1A1HPGDTHRBHSD17B10 | |
| SCHEMBL21710492 | 0.76 | ALDH1A1 (0.41) | CYP1A2ALDH1A1HPGDTHRBHSD17B10 | |
| SCHEMBL21717973 | 0.75 | L3MBTL1 (0.43) | CYP1A2HPGDHSD17B10AHRFYN | |
| SCHEMBL23487256 | 0.74 | NPC1 (0.36) | CYP1A2ALDH1A1HPGDTHRBHSD17B10 | |
| SCHEMBL23487252 | 0.73 | CYP1A2 (0.39) | CYP1A2ALDH1A1HPGDTHRBHSD17B10 |
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-2021112478-A1 | COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF | 덕산네오룩스 주식회사 | 2021-06-10 | — | — | WO | disclosed |