Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | MMP1 | P03956 | 2/20 | 0.48 |
| ▸ | MMP2 | P08253 | 2/20 | 0.48 |
| ▸ | MMP9 | P14780 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | EGFR | P00533 | 1/20 | 0.46 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | DHODH | Q02127 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL1323541 | 0.95 | HSD11B1 (0.53) | CA12CA1CA2CA9KMT2A | |
| SCHEMBL1323498 | 0.95 | HSD11B1 (0.53) | CA12CA1CA2CA9KMT2A | |
| SCHEMBL1323502 | 0.95 | HSD11B1 (0.53) | CA12CA1CA2CA9KMT2A | |
| SCHEMBL1324218 | 0.95 | HSD11B1 (0.53) | CA12CA1CA2CA9KMT2A | |
| SCHEMBL1324753 | 0.85 | HDAC2 (0.53) | CA12CA1CA2CA9MMP1 | |
| SCHEMBL1324278 | 0.85 | HDAC1 (0.39) | KMT2AMMP1MMP2MMP9LMNA | |
| SCHEMBL1324751 | 0.85 | HDAC2 (0.53) | CA12CA1CA2CA9MMP1 | |
| SCHEMBL1324397 | 0.85 | CYP1A2 (0.46) | KMT2AMEN1LMNATRPA1POLB | |
| SCHEMBL1324399 | 0.85 | CYP1A2 (0.46) | KMT2AMEN1LMNATRPA1POLB | |
| SCHEMBL1324281 | 0.85 | HDAC1 (0.39) | KMT2AMMP1MMP2MMP9LMNA |
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 |