Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | LTA4H | P09960 | 4/20 | 0.42 |
| ▸ | AHR | P35869 | 1/20 | 0.41 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.41 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16955449 | 0.89 | NQO1 (0.50) | NQO1KDM4EALDH1A1SMN1; SMN2LTA4H | |
| SCHEMBL16958467 | 0.88 | AHR (0.55) | ALDH1A1SMN1; SMN2LTA4HAHRNR5A1 | |
| SCHEMBL16957654 | 0.86 | KDM4E (0.43) | KDM4EALDH1A1LTA4HAHRNR5A1 | |
| SCHEMBL16951596 | 0.84 | CA12 (0.41) | LTA4HAHRNR5A1CYP3A4CYP2D6 | |
| SCHEMBL16953810 | 0.83 | CNR1 (0.40) | KDM4EALDH1A1SMN1; SMN2LTA4HAHR | |
| SCHEMBL16959670 | 0.83 | RAB9A (0.44) | ALDH1A1SMN1; SMN2LTA4HAHRNR5A1 | |
| SCHEMBL16958794 | 0.83 | TSHR (0.40) | LTA4HAHRNR5A1CYP3A4CYP2D6 | |
| SCHEMBL16955656 | 0.83 | LTA4H (0.40) | KDM4ESMN1; SMN2LTA4HAHRNR5A1 | |
| SCHEMBL16959969 | 0.83 | LTA4H (0.40) | LTA4HAHRNR5A1PLA2G2ACYP3A4 | |
| SCHEMBL16958654 | 0.83 | LTA4H (0.42) | KDM4EALDH1A1SMN1; SMN2LTA4HAHR |
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 |