Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSTP1 | P09211 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 6/20 | 0.43 |
| ▸ | CA4 | P22748 | 6/20 | 0.43 |
| ▸ | CA9 | Q16790 | 6/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 6/20 | 0.41 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 3/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14117097 | 0.81 | ADAM17 (0.40) | ALDH1A1 | |
| SCHEMBL2024267 | 0.81 | MAOB (0.45) | GSTP1CA12CA4CA9CA1 | |
| SCHEMBL9636031 | 0.81 | TYR (0.56) | GSTP1CA12CA4CA9CA1 | |
| SCHEMBL17848287 | 0.80 | GSTP1 (0.42) | GSTP1CA12CA4CA9CA1 | |
| SCHEMBL18761828 | 0.79 | GSTP1 (0.49) | GSTP1CA12CA4CA9CA1 | |
| SCHEMBL9634543 | 0.78 | ALDH1A1 (0.63) | GSTP1CA12CA4CA9CA1 | |
| SCHEMBL3170130 | 0.78 | NQO1 (0.45) | KDM4EALDH1A1GAATSHR | |
| SCHEMBL22322029 | 0.78 | ALDH1A1 (0.37) | ALDH1A1MAOBMAOA | |
| SCHEMBL15080749 | 0.77 | KDM4E (0.52) | GSTP1CA12CA4CA9CA1 | |
| SCHEMBL14149542 | 0.77 | MAOB (0.45) | GSTP1CA12CA4CA9CA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008099020-A1 | 1,1-DIOXO-1-THIA-5,10-DIAZADIBENZOCYCLOHEPTENES USEFUL AS HEPATITIS C VIRUS INHIBITORS | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2008-08-21 | — | — | WO | disclosed |
| EP-1940780-A1 | AMIDE COMPOUNDS AND THEIR USE | SUMITOMO CHEMICAL CO., LTD. (JP) | 2008-07-09 | — | — | EP | disclosed |
| EP-1940779-A2 | AMIDE COMPOUNDS AND THEIR USE | Sumitomo Chemical Company, Limited (JP) | 2008-07-09 | — | — | EP | disclosed |
| WO-2007049729-A2 | AMIDE COMPOUNDS AND THEIR USE | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2007-05-03 | — | — | WO | disclosed |
| WO-2007049728-A1 | AMIDE COMPOUNDS AND THEIR USE | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2007-05-03 | — | — | WO | disclosed |