Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MIF | P14174 | 1/20 | 0.44 |
| ▸ | GRM1 | Q13255 | 3/20 | 0.43 |
| ▸ | GRM5 | P41594 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | APP | P05067 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.37 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL369853 | 0.82 | NPC1 (0.44) | MIFGRM1GRM5NFE2L2PTGS1 | |
| SCHEMBL71218 | 0.78 | ESRRA (0.47) | MIFGRM1GRM5CYP2A6HSD11B1 | |
| SCHEMBL6252716 | 0.77 | OGT (0.50) | MIFMAPK1PTGS1PTGS2ALDH1A1 | |
| SCHEMBL27768446 | 0.76 | ESRRA (0.51) | MIFGRM1GRM5CYP2A6CA1 | |
| SCHEMBL1556314 | 0.75 | CYP2A6 (0.44) | GRM1GRM5CYP2A6MAPK1ALDH1A1 | |
| SCHEMBL2730782 | 0.74 | CYP2A6 (0.54) | CYP2A6NFE2L2MAPK1ALDH1A1APP | |
| SCHEMBL30398916 | 0.74 | ESRRA (0.46) | MIFGRM1GRM5CYP2A6DPP4 | |
| SCHEMBL12571597 | 0.73 | CA12 (0.55) | MIFGRM1GRM5NFE2L2MAPK1 | |
| SCHEMBL17801661 | 0.73 | ESR2 (0.39) | CYP2A6MAPK1ALDH1A1GAANPC1 | |
| SCHEMBL1680249 | 0.72 | NPC1 (0.45) | CYP2A6MAPK1ALDH1A1GAANPC1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2630133-A1 | NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES | Bayer Intellectual Property GmbH (DE) | 2013-08-28 | — | — | EP | disclosed |
| EP-2593447-A2 | NEW HETEROCYCLIC COMPOUNDS AS PESTICIDES | Bayer Intellectual Property GmbH (DE) | 2013-05-22 | — | — | EP | disclosed |
| WO-2012052412-A1 | NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES | BAYER CROPSCIENCE AG (DE) | 2012-04-26 | — | — | WO | disclosed |
| WO-2012007500-A2 | NEW HETEROCYCLIC COMPOUNDS AS PESTICIDES | BAYER CROPSCIENCE AG (DE) | 2012-01-19 | — | — | WO | disclosed |