Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 7/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.37 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.35 |
| ▸ | AHR | P35869 | 3/20 | 0.35 |
| ▸ | FYN | P06241 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16212768 | 0.88 | CYP2A6 (0.42) | CYP1A2CYP2A6L3MBTL1TDP1ALDH1A1 | |
| SCHEMBL29463989 | 0.85 | HSD17B10 (0.46) | CYP1A2CYP2A6L3MBTL1TDP1HSD17B10 | |
| SCHEMBL6316182 | 0.85 | HSD17B10 (0.46) | CYP1A2CYP2A6L3MBTL1TDP1HSD17B10 | |
| SCHEMBL22211948 | 0.79 | CYP1A2 (0.64) | CYP1A2CYP2A6L3MBTL1TDP1HSD17B10 | |
| SCHEMBL30887598 | 0.79 | CYP1A2 (0.64) | CYP1A2CYP2A6L3MBTL1TDP1HSD17B10 | |
| SCHEMBL20480431 | 0.78 | MCL1 (0.42) | CYP1A2L3MBTL1TDP1HSD17B10HPGD | |
| SCHEMBL22019099 | 0.75 | CYP1A2 (0.52) | CYP1A2CYP2A6L3MBTL1TDP1HSD17B10 | |
| SCHEMBL29839519 | 0.75 | CYP1A2 (0.52) | CYP1A2CYP2A6L3MBTL1TDP1HSD17B10 | |
| SCHEMBL24156128 | 0.73 | AHR (0.46) | CYP1A2CYP2A6L3MBTL1TDP1CYP1A1 | |
| SCHEMBL476875 | 0.73 | CYP2A6 (0.73) | CYP1A2CYP2A6L3MBTL1TDP1HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3388414-A1 | METHOD FOR THE HYDROFORMYLATION OF CYCLOOCTADIENE USING 4-([1,1':3',1''-TERPHENYL]-2'-YLOXY)-S-DINAPHTHO[2,1-D:1',2'-F][1,3,2]DIOXAPHOSPHEPINE | Evonik Degussa GmbH (DE) | 2018-10-17 | — | — | EP | disclosed |
| EP-3388413-A1 | METHOD FOR THE HYDROFORMYLATION OF CYCLOOCTADIENE USING 2- (ANTHRACEN-9-YLOXY) -4,4,5,5-TETRAMETHYL-1,3,2-DIOXAPHOSPHOLANE | Evonik Degussa GmbH (DE) | 2018-10-17 | — | — | EP | disclosed |