Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | HPGD | P15428 | 2/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | CASP1 | P29466 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.55 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | MRGPRX4 | Q96LA9 | 5/20 | 0.52 |
| ▸ | CES2 | O00748 | 2/20 | 0.50 |
| ▸ | ACLY | P53396 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | TTR | P02766 | 1/20 | 0.48 |
| ▸ | PPOX | P50336 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.48 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL1818435 | 0.98 | KDM4E (0.62) | KDM4EALDH1A1HPGDHSD17B10TSHR | |
| SCHEMBL6553697 | 0.96 | KDM4E (0.61) | KDM4EALDH1A1HPGDHSD17B10TSHR | |
| SCHEMBL78221 | 0.83 | MRGPRX4 (0.61) | KDM4EALDH1A1HPGDHSD17B10SORT1 | |
| SCHEMBL1455625 | 0.83 | CES2 (0.52) | KDM4EALDH1A1HPGDHSD17B10SORT1 | |
| SCHEMBL30377763 | 0.82 | HPGD (0.49) | KDM4EALDH1A1HPGDHSD17B10TSHR | |
| SCHEMBL6495907 | 0.81 | PDE2A (0.50) | KDM4EALDH1A1HPGDHSD17B10TSHR | |
| SCHEMBL30482175 | 0.81 | PDE2A (0.50) | KDM4EALDH1A1HPGDHSD17B10TSHR | |
| SCHEMBL9636953 | 0.81 | CES2 (0.50) | KDM4EALDH1A1HPGDHSD17B10SORT1 | |
| SCHEMBL29753880 | 0.81 | ALDH1A1 (0.51) | KDM4EALDH1A1HPGDHSD17B10CASP1 | |
| SCHEMBL2856789 | 0.81 | ALDH1A1 (0.51) | KDM4EALDH1A1HPGDHSD17B10CASP1 |
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-5744021-A | 2-alkylmercapto-4-(trifluoromethyl)benzoic esters and a process for their preparation | HOECHST AG (DE) | 1998-04-28 | — | — | US | disclosed |