Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC2 | Q92769 | 3/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.48 |
| ▸ | MMP1 | P03956 | 2/20 | 0.48 |
| ▸ | MMP2 | P08253 | 2/20 | 0.48 |
| ▸ | MMP9 | P14780 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | EGFR | P00533 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1324751 | 1.00 | HDAC2 (0.53) | HDAC2HDAC1HDAC8CA12CA1 | |
| SCHEMBL1324241 | 0.95 | HDAC2 (0.57) | HDAC2HDAC1HDAC8CA12CA1 | |
| SCHEMBL1324806 | 0.95 | HDAC2 (0.57) | HDAC2HDAC1HDAC8CA12CA1 | |
| SCHEMBL1324240 | 0.95 | HDAC2 (0.57) | HDAC2HDAC1HDAC8CA12CA1 | |
| SCHEMBL1324320 | 0.95 | HDAC2 (0.57) | HDAC2HDAC1HDAC8CA12CA1 | |
| SCHEMBL1324399 | 0.85 | CYP1A2 (0.46) | HDAC2HDAC1HDAC8CYP1A2HDAC6 | |
| SCHEMBL1324397 | 0.85 | CYP1A2 (0.46) | HDAC2HDAC1HDAC8CYP1A2HDAC6 | |
| SCHEMBL1324278 | 0.85 | HDAC1 (0.39) | HDAC2HDAC1HDAC8HDAC6MMP1 | |
| SCHEMBL1324636 | 0.85 | CA12 (0.49) | CA12CA1CA2CA9MMP1 | |
| SCHEMBL1324281 | 0.85 | HDAC1 (0.39) | HDAC2HDAC1HDAC8HDAC6MMP1 |
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-8058313-B2 | 4-((1E)-2-(((E)-2-fluoro-4-cyanostyrylsulfonyl)methylsulfonyl)vinyl)-3-fluoro-benzonitrile; mitogen activated protein kinase inhibitor; cell growth factor receptor antagonist; angiogenesis inhibitor, antiproliferative and anticarcinogenic agent; neurodegenerative diseases | Temple University—Of the Commonwealth System of Higher Education (US) | 2011-11-15 | — | — | US | claimed |