Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | AHR | P35869 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | HPGD | P15428 | 5/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 4/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17412418 | 0.81 | CYP1A2 (0.42) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL12955150 | 0.73 | CCR1 (0.48) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL28536361 | 0.73 | PDE4D (0.46) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL17412413 | 0.73 | KDM4E (0.45) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL10564734 | 0.73 | KDM4E (0.45) | CYP1A2ALDH1A1HPGDHSD17B10TSHR | |
| SCHEMBL14241623 | 0.72 | CYP1A2 (0.52) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL14241184 | 0.72 | CYP1A2 (0.47) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL16822385 | 0.72 | CYP1A2 (0.61) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL1535028 | 0.71 | CYP1A2 (0.42) | CYP1A2ERBB2FYNMAOAACHE | |
| Benzene SCHEMBL28738256 | 0.71 | CYP1A2 (0.59) | CYP1A2ERBB2FYNMAOAACHE |
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-2020226295-A1 | COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING ORGANIC ELECTRIC ELEMENT | 덕산네오룩스 주식회사 | 2020-11-12 | — | — | WO | disclosed |