Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | SCN1A | P35498 | 1/20 | 0.50 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.50 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 4/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.42 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.42 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.42 |
| ▸ | GABRA2 | P47869 | 3/20 | 0.42 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6231293 | 0.93 | ALDH1A1 (0.58) | ALDH1A1SCN1ASCN2ASCN3ATSHR | |
| SCHEMBL8878289 | 0.88 | NPC1 (0.51) | ALDH1A1SCN1ASCN2ASCN3ATSHR | |
| SCHEMBL8876948 | 0.87 | TSHR (0.68) | ALDH1A1SCN1ASCN2ASCN3ATSHR | |
| SCHEMBL6255319 | 0.86 | ALDH1A1 (0.64) | ALDH1A1SCN1ASCN2ASCN3ATSHR | |
| SCHEMBL8879884 | 0.86 | TSHR (0.50) | ALDH1A1SCN1ASCN2ASCN3ATSHR | |
| SCHEMBL2989810 | 0.86 | ALDH1A1 (0.68) | ALDH1A1SCN1ASCN2ASCN3ATSHR | |
| SCHEMBL18411636 | 0.86 | ALDH1A1 (0.49) | ALDH1A1SCN1ASCN2ASCN3ATSHR | |
| SCHEMBL28815185 | 0.85 | TSHR (0.70) | ALDH1A1SCN1ASCN2ASCN3ATSHR | |
| SCHEMBL8879527 | 0.83 | ALDH1A1 (0.50) | ALDH1A1SCN1ASCN2ASCN3ATSHR | |
| SCHEMBL15110945 | 0.83 | SMN1; SMN2 (0.58) | ALDH1A1SCN1ASCN2ASCN3ATSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-5639922-A | CONTACTING AROMATIC PRIMARY AND TERTIARY HYDROPEROXIDES MIXTURE OBTAINED BY OXIDATION OF ALKYLAROMATIC COMPOUNDS WITH AN ALKALI OR ALKALINE ORGANIC AROMATIC CARBOXYLIC ACID SALT, DECOMPOSING WITH ACID CATALYST FORMING ALKYL PHENOLS | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1997-06-17 | — | — | US | disclosed |