Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.53 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.53 |
| ▸ | FYN | P06241 | 1/20 | 0.53 |
| ▸ | MAOA | P21397 | 1/20 | 0.53 |
| ▸ | ACHE | P22303 | 1/20 | 0.53 |
| ▸ | AHR | P35869 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.48 |
| ▸ | HPGD | P15428 | 4/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 5/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.45 |
| ▸ | CASP1 | P29466 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CASP7 | P55210 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL31505497 | 0.98 | CYP1A2 (0.50) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL16557787 | 0.89 | NPSR1 (0.44) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL15678820 | 0.87 | CYP1A2 (0.42) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL16604200 | 0.86 | CYP1A2 (0.45) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL5078461 | 0.84 | CYP1A2 (0.43) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL2010178 | 0.84 | CA12 (0.50) | CYP1A2ALDH1A1HSD17B10HPGDTSHR | |
| SCHEMBL29866205 | 0.84 | CA12 (0.50) | CYP1A2ALDH1A1HSD17B10HPGDTSHR | |
| SCHEMBL16863525 | 0.83 | CDK4 (0.46) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL15726533 | 0.83 | L3MBTL1 (0.43) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL31742566 | 0.83 | MCL1 (0.54) | CYP1A2ALDH1A1HSD17B10TSHRCYP1B1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101080376-A | Pyrene compound and light-emitting transistor element using same | PIONEER CORP (JP) | 2007-11-28 | — | — | CN | disclosed |