Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.76 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.74 |
| ▸ | CA9 | Q16790 | 3/20 | 0.71 |
| ▸ | CA1 | P00915 | 2/20 | 0.71 |
| ▸ | CA2 | P00918 | 2/20 | 0.71 |
| ▸ | CA12 | O43570 | 2/20 | 0.68 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.68 |
| ▸ | LMNA | P02545 | 2/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.65 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | ATM | Q13315 | 1/20 | 0.60 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | EGFR | P00533 | 1/20 | 0.58 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | PKM | P14618 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL6289448 | 0.93 | CYP19A1 (0.78) | KEAP1CXCR4CA9CA1CA2 | |
| SCHEMBL407414 | 0.87 | KEAP1 (1.00) | KEAP1CA9CA1CA2CA12 | |
| SCHEMBL19358855 | 0.86 | CXCR4 (1.00) | KEAP1CXCR4LMNACYP1A2KMT2A | |
| Hydrochloric Acid SCHEMBL3516799 | 0.85 | KEAP1 (0.96) | KEAP1CA9CA1CA2CA12 | |
| SCHEMBL7507787 | 0.83 | CA1 (0.71) | KEAP1CXCR4CA9CA1CA2 | |
| SCHEMBL20946426 | 0.83 | CA1 (0.77) | CXCR4CA9CA1CA2CA12 | |
| SCHEMBL1046937 | 0.82 | CXCR4 (0.69) | CXCR4CA9CA1CA2CYP19A1 | |
| SCHEMBL750261 | 0.82 | MEN1 (0.58) | KEAP1CXCR4CA9CA1CA2 | |
| SCHEMBL4662845 | 0.82 | KEAP1 (0.76) | KEAP1CXCR4CA9CA1CA2 | |
| SCHEMBL4664435 | 0.82 | KEAP1 (0.76) | KEAP1CXCR4CA9CA1CA2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102112445-A | Hydroxyphenylsulfonamides as antiapoptotic Bcl inhibitors | BRISTOL MYERS SQUIBB CO | 2011-06-29 | — | — | CN | disclosed |
| EP-2007760-A1 | NOVEL SUBSTITUTED-1, 1-DIOXO-BENZO[1,2,4]THIADIZIN-3-ONES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 2008-12-31 | — | — | EP | disclosed |
| WO-2007108569-A1 | NOVEL SUBSTITUTED-1, 1-DIOXO-BENZO[1,2,4]THIADIZIN-3-ONES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME | KOREA RESERACH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 2007-09-27 | — | — | WO | disclosed |