Predicted protein targets (top 20)
| 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 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.33 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 2/20 | 0.32 |
| ▸ | PDE6D | O43924 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16788687 | 0.96 | CYP1A2 (0.39) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL16788677 | 0.96 | CYP1A2 (0.42) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL16788681 | 0.95 | CYP1A2 (0.40) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL16788676 | 0.95 | CYP1A2 (0.40) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL16788686 | 0.95 | CYP1A2 (0.40) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL16788673 | 0.94 | CYP1A2 (0.39) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL16021474 | 0.94 | CYP1A2 (0.39) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL18744375 | 0.92 | NR3C1 (0.38) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL16021481 | 0.90 | L3MBTL1 (0.40) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL16021430 | 0.90 | L3MBTL1 (0.40) | 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-9627624-B2 | Compound for organic optoelectronic device organic light emitting diode including the same and display including the organic light emitting diode | SAMSUNG DISPLAY CO., LTD. (KR) | 2017-04-18 | — | — | US | disclosed |
| US-9627624-B2 | Compound for organic optoelectronic device organic light emitting diode including the same and display including the organic light emitting diode | SAMSUNG DISPLAY CO., LTD. (KR) | 2017-04-18 | — | — | US | disclosed |