Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.40 |
| ▸ | FYN | P06241 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | AHR | P35869 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3017005 | 0.79 | ALDH1A1 (0.46) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL3756283 | 0.78 | ALDH1A1 (0.35) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL1262041 | 0.77 | CYP1A2 (0.57) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL5479005 | 0.76 | ALDH1A1 (0.56) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL29452846 | 0.75 | CYP1A2 (0.55) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL136007 | 0.75 | CYP1A2 (0.55) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL18546810 | 0.75 | HSD17B10 (0.57) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL9719548 | 0.74 | CYP1A2 (0.54) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL441019 | 0.73 | CYP1A2 (0.53) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL4846679 | 0.72 | CYP1A2 (0.61) | 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 |
|---|---|---|---|---|---|---|---|
| JP-2001196180-A | ORGANIC ELECTROLUMINESCENT ELEMENT | NEC CORP | 2001-07-19 | — | — | JP | disclosed |