Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.35 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.35 |
| ▸ | GCGR | P47871 | 1/20 | 0.35 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.35 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.34 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.33 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL144462 | 0.84 | TNF (0.44) | ENPP1CA12CA1CA2CA9 | |
| SCHEMBL6274844 | 0.81 | ALDH1A1 (0.33) | CYP1A2 | |
| SCHEMBL9989533 | 0.79 | PPARG (0.37) | ENPP1CA12CA1CA2CA9 | |
| SCHEMBL2265426 | 0.78 | GSTP1 (0.46) | SLC6A4SLC6A3HDAC8METGPR84 | |
| SCHEMBL18805039 | 0.77 | CA12 (0.53) | CYP17A1ENPP1MAPK14MAPK13GCGR | |
| SCHEMBL8074741 | 0.77 | CA12 (0.53) | CYP17A1ENPP1MAPK14MAPK13GCGR | |
| SCHEMBL2268337 | 0.76 | CYP1A2 (0.41) | CA12CA1CA2CA9HDAC8 | |
| SCHEMBL26750929 | 0.76 | CA12 (0.51) | CYP17A1ENPP1MAPK14MAPK13GCGR | |
| SCHEMBL9989143 | 0.75 | PPARG (0.37) | CLK2CLK4TNF | |
| SCHEMBL9989150 | 0.75 | CA12 (0.40) | CA12CA1CA2CA9CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011163610-A2 | ANTIMICROBIAL AGENTS | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2011-12-29 | — | — | WO | disclosed |