Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.46 |
| ▸ | ALPL | P05186 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.40 |
| ▸ | PRKDC | P78527 | 1/20 | 0.40 |
| ▸ | ATR | Q13535 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | VCP | P55072 | 1/20 | 0.38 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | TSPO | P30536 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | LTB4R | Q15722 | 2/20 | 0.37 |
| ▸ | IKBKB | O14920 | 1/20 | 0.37 |
| ▸ | TACR3 | P29371 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2467530 | 0.87 | ADORA2A (0.40) | ADORA2AADORA1ATRVCPKDM5B | |
| SCHEMBL2469200 | 0.87 | PRKDC (0.39) | ADORA2AADORA1PRKDCATRVCP | |
| SCHEMBL2470000 | 0.86 | ACHE (0.45) | HSP90AA1HSP90AB1ADORA2AADORA1SMN1; SMN2 | |
| SCHEMBL2468346 | 0.85 | HSP90AA1 (0.47) | HSP90AA1HSP90AB1ALPLNPC1SMN1; SMN2 | |
| SCHEMBL2468292 | 0.85 | AGPAT2 (0.41) | HSP90AA1HSP90AB1 | |
| SCHEMBL2468802 | 0.85 | HSP90AA1 (0.52) | HSP90AA1HSP90AB1ADORA2AADORA1ATR | |
| SCHEMBL2466413 | 0.83 | GRM2 (0.41) | HSP90AA1HSP90AB1KDM4E | |
| SCHEMBL2465720 | 0.83 | CDC7 (0.39) | HSP90AA1HSP90AB1NPC1SMN1; SMN2HPGD | |
| SCHEMBL2465856 | 0.82 | PPARA (0.36) | HSP90AA1HSP90AB1ALPLMEN1KMT2A | |
| SCHEMBL9938973 | 0.81 | CYP3A4 (0.40) | HSP90AA1HSP90AB1ALPLABL1SMN1; SMN2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2939541-A1 | HERBICIDE SAFENER COMBINATION | Bayer Intellectual Property GmbH (DE) | 2015-11-04 | — | — | EP | disclosed |
| EP-2939540-A1 | HERBICIDE SAFENER COMBINATION | Bayer Intellectual Property GmbH (DE) | 2015-11-04 | — | — | EP | disclosed |
| EP-2369929-A2 | HERBICIDE-SAFENER COMBINATION | Bayer CropScience AG (DE) | 2011-10-05 | — | — | EP | disclosed |
| WO-2010060581-A2 | HERBICIDE-SAFENER COMBINATION | BAYER CROPSCIENCE AG (DE) | 2010-06-03 | — | — | WO | disclosed |
| EP-2191719-A1 | Herbicide safener combination | Bayer CropScience AG (DE) | 2010-06-02 | — | — | EP | disclosed |