Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | AHR | P35869 | 1/20 | 0.39 |
| ▸ | LTA4H | P09960 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16954496 | 0.92 | ESR1 (0.50) | NQO1TSHRTDP1ESR1AHR | |
| SCHEMBL16951211 | 0.90 | NQO1 (0.41) | NQO1TSHRTDP1ESR1AHR | |
| SCHEMBL16953265 | 0.89 | NQO1 (0.45) | NQO1TSHRTDP1AHRLTA4H | |
| SCHEMBL16951572 | 0.88 | NQO1 (0.43) | NQO1TSHRTDP1LTA4HCA12 | |
| SCHEMBL16961875 | 0.87 | NQO1 (0.39) | NQO1TSHRTDP1ESR1AHR | |
| SCHEMBL16958266 | 0.86 | NQO1 (0.41) | NQO1TSHRTDP1ESR1AHR | |
| SCHEMBL16957167 | 0.86 | NQO1 (0.41) | NQO1TSHRTDP1ESR1AHR | |
| SCHEMBL16951238 | 0.86 | NQO1 (0.41) | NQO1TSHRTDP1LTA4HTP53 | |
| SCHEMBL16953945 | 0.86 | NQO1 (0.41) | NQO1TSHRTDP1LTA4HTP53 | |
| SCHEMBL16955846 | 0.86 | NQO1 (0.41) | NQO1TSHRTDP1ESR1AHR |
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 |