Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN2A | Q99250 | 2/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.65 |
| ▸ | GAA | P10253 | 3/20 | 0.65 |
| ▸ | BCHE | P06276 | 2/20 | 0.65 |
| ▸ | CES1 | P23141 | 2/20 | 0.65 |
| ▸ | CES2 | O00748 | 1/20 | 0.65 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.65 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | TDO2 | P48775 | 1/20 | 0.47 |
| ▸ | TTR | P02766 | 1/20 | 0.47 |
| ▸ | PTPRC | P08575 | 2/20 | 0.45 |
| ▸ | ACHE | P22303 | 2/20 | 0.45 |
| ▸ | S100A4 | P26447 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | CASP1 | P29466 | 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 | |
|---|---|---|---|---|
| SCHEMBL9330406 | 0.84 | SCN2A (0.71) | SCN2AALDH1A1GAABCHECES1 | |
| SCHEMBL9330569 | 0.82 | CASP1 (0.61) | SCN2AALDH1A1GAABCHECES1 | |
| SCHEMBL30118348 | 0.82 | SCN2A (1.00) | SCN2AALDH1A1GAAIDO1TDO2 | |
| SCHEMBL1973251 | 0.82 | SCN2A (1.00) | SCN2AALDH1A1GAAIDO1TDO2 | |
| Phenyl Isatin SCHEMBL916808 | 0.79 | CES1 (1.00) | ALDH1A1GAABCHECES1CES2 | |
| SCHEMBL5707675 | 0.79 | MEN1 (0.48) | SCN2AALDH1A1GAABCHECES1 | |
| SCHEMBL10399763 | 0.78 | SCN2A (0.56) | SCN2AALDH1A1GAAHTTTTR | |
| SCHEMBL10399765 | 0.78 | SCN2A (0.56) | SCN2AALDH1A1GAAHTTTTR | |
| SCHEMBL5707613 | 0.78 | ALDH1A1 (0.54) | ALDH1A1GAABCHECES1CES2 | |
| SCHEMBL14830299 | 0.77 | CES1 (0.73) | ALDH1A1GAABCHECES1CES2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1705227-A2 | New dyestuffs and colorants with specific carbonyl compounds | Henkel Kommanditgesellschaft auf Aktien (DE) | 2006-09-27 | — | — | EP | claimed |
| EP-1705227-A2 | New dyestuffs and colorants with specific carbonyl compounds | Henkel Kommanditgesellschaft auf Aktien (DE) | 2006-09-27 | — | — | EP | disclosed |
| EP-0369344-B1 | N-arylation of isatins | ABBOTT LAB (US) | 1994-04-06 | — | — | EP | disclosed |
| US-5151518-A | N-arylation of isatins | ABBOTT LABORATORIES (US) | 1992-09-29 | — | — | US | disclosed |
| EP-0369344-A1 | N-arylation of isatins | ABBOTT LABORATORIES (US) | 1990-05-23 | — | — | EP | disclosed |