Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.35 |
| ▸ | GAA | P10253 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL15961349 | 0.87 | ALDH1A1 (0.34) | ALDH1A1GAAHPGDCYP2C19CYP1A2 | |
| SCHEMBL2598646 | 0.83 | ALDH1A1 (0.44) | ALDH1A1GAAHPGDCYP2C19CYP1A2 | |
| SCHEMBL1119901 | 0.80 | ALDH1A1 (0.35) | ALDH1A1GAAHPGDCYP2C19CYP1A2 | |
| SCHEMBL1999489 | 0.76 | FAAH (0.43) | — | |
| SCHEMBL626623 | 0.73 | FAAH (0.32) | — | |
| SCHEMBL14837551 | 0.73 | ALDH1A1 (0.37) | ALDH1A1GAAMAPTMEN1KMT2A | |
| SCHEMBL2598439 | 0.72 | MEN1 (0.38) | ALDH1A1MEN1KMT2A | |
| SCHEMBL30404348 | 0.72 | TSHR (0.47) | ALDH1A1GAAHPGDCYP2C19CYP1A2 | |
| SCHEMBL14837542 | 0.72 | HTR1A (0.38) | ALDH1A1GAAHPGDCYP2C19CYP1A2 | |
| SCHEMBL2000959 | 0.71 | ALDH1A1 (0.41) | ALDH1A1GAAHPGDCYP2C19CYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2571873-B1 | BIS(DIFLUORMETHYL)PYRAZOLES AS FUNGICIDES | BAYER CROPSCIENCE AG (DE) | 2015-06-24 | — | — | EP | disclosed |
| EP-2571873-A1 | BIS(DIFLUOROMETHYL) PYRAZOLES AS FUNGICIDES | Bayer CropScience AG (DE) | 2013-03-27 | — | — | EP | disclosed |
| WO-2011144586-A1 | BIS(DIFLUOROMETHYL) PYRAZOLES AS FUNGICIDES | BAYER CROPSCIENCE AG (DE) | 2011-11-24 | — | — | WO | disclosed |