Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | AR | P10275 | 4/20 | 0.36 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.33 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | CSNK1G2 | P78368 | 1/20 | 0.33 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.32 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA3 | P07451 | 1/20 | 0.32 |
| ▸ | CA6 | P23280 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3630413 | 0.84 | ALDH1A1 (0.41) | CYP2A6ALDH1A1ARRAD51CYP11B1 | |
| SCHEMBL30195931 | 0.84 | ALDH1A1 (0.41) | CYP2A6ALDH1A1ARRAD51CYP11B1 | |
| SCHEMBL12132595 | 0.80 | ALDH1A1 (0.43) | CYP2A6ALDH1A1ARRAD51CYP11B1 | |
| SCHEMBL29954709 | 0.80 | ALDH1A1 (0.43) | CYP2A6ALDH1A1ARRAD51CYP11B1 | |
| SCHEMBL16959372 | 0.80 | CYP2A6 (0.41) | CYP2A6ALDH1A1ARRAD51CYP11B1 | |
| SCHEMBL27336521 | 0.78 | AR (0.39) | CYP2A6ALDH1A1ARCYP11B1CYP11B2 | |
| SCHEMBL16960777 | 0.78 | IMPDH2 (0.37) | CYP2A6ALDH1A1ARRAD51CYP11B1 | |
| SCHEMBL16959161 | 0.77 | CYP2A6 (0.44) | CYP2A6ALDH1A1RAD51CA12CA2 | |
| SCHEMBL7882700 | 0.77 | ALDH1A1 (0.39) | CYP2A6ALDH1A1ARRAD51CYP11B1 | |
| SCHEMBL16959683 | 0.76 | MEN1 (0.38) | CYP2A6ALDH1A1RAD51IMPDH2IMPDH1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2900645-A1 | 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION | Bayer CropScience AG (DE) | 2015-08-05 | — | — | EP | disclosed |