Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.37 |
| ▸ | IDH2 | P48735 | 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 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL16954856 | 0.83 | NQO1 (0.42) | ALDH1A1TP53CYP3A4TSHRSMN1; SMN2 | |
| SCHEMBL16960809 | 0.81 | CYP2D6 (0.43) | CHRM2CHRM1CHRM3CYP1A1CYP1A2 | |
| SCHEMBL16961188 | 0.80 | CYP2D6 (0.39) | CYP1A1CYP1A2CYP1B1CYP2D6HTT | |
| SCHEMBL16952192 | 0.80 | CYP2D6 (0.54) | CYP1A1CYP1A2CYP1B1NFE2L2CYP2D6 | |
| SCHEMBL16957151 | 0.79 | PDE2A (0.41) | CYP1A2TP53CYP3A4ALOX15SMN1; SMN2 | |
| SCHEMBL17115832 | 0.79 | CYP2D6 (0.43) | CHRM2CHRM1CHRM3CYP1A1CYP1A2 | |
| SCHEMBL16951179 | 0.79 | HTR2A (0.39) | CYP1A1CYP1A2CYP1B1CYP2D6HTT | |
| SCHEMBL16952610 | 0.79 | ADRA2A (0.40) | CYP1A1CYP1A2CYP1B1CYP2D6HTT | |
| SCHEMBL16951297 | 0.79 | CYP2D6 (0.41) | CYP1A1CYP1A2CYP1B1CYP2D6HTT | |
| SCHEMBL16958390 | 0.77 | CHRM2 (0.39) | CHRM2CHRM1CHRM3CYP1A1CYP1A2 |
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 |