Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | AHR | P35869 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 4/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL18174851 | 0.97 | CYP1A2 (0.39) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL12433896 | 0.94 | GSTP1 (0.35) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL18174842 | 0.94 | GSTP1 (0.35) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL17933142 | 0.92 | GSTP1 (0.35) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL18174849 | 0.91 | CYP1A2 (0.39) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL10025665 | 0.91 | ALDH1A1 (0.42) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL29395264 | 0.91 | ALDH1A1 (0.42) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL18079875 | 0.90 | CYP1A2 (0.40) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL17264041 | 0.90 | GSTP1 (0.33) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL18174848 | 0.89 | CYP1A2 (0.41) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9478752-B2 | Organic light-emitting diode comprising amine-based compounds and pyrene-based compounds | SAMSUNG DISPLAY CO., LTD. (KR) | 2016-10-25 | — | — | US | disclosed |
| US-9478752-B2 | Organic light-emitting diode comprising amine-based compounds and pyrene-based compounds | SAMSUNG DISPLAY CO., LTD. (KR) | 2016-10-25 | — | — | US | disclosed |