Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.37 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA7 | P43166 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16961251 | 0.83 | NQO1 (0.42) | AHRALDH1A1TP53CYP3A4TSHR | |
| SCHEMBL16953982 | 0.81 | HTR2A (0.44) | HTR2ASLC6A4KCNH2CYP2D6HTT | |
| SCHEMBL16952192 | 0.80 | CYP2D6 (0.54) | CYP2D6HTTADRA2AADRA1ACA12 | |
| SCHEMBL16961188 | 0.80 | CYP2D6 (0.39) | CYP2D6HTTADRA2AADRA1ACA12 | |
| SCHEMBL16951297 | 0.79 | CYP2D6 (0.41) | CYP2D6HTTADRA2AADRA1ACA12 | |
| SCHEMBL16952610 | 0.79 | ADRA2A (0.40) | CYP2D6HTTADRA2AADRA1ACA12 | |
| SCHEMBL16952131 | 0.79 | CHRM2 (0.40) | CYP2D6HTTADRA2AADRA1ACA12 | |
| SCHEMBL16952770 | 0.79 | ALDH1A1 (0.34) | HTR2ASLC6A4KCNH2ALDH1A1CYP1A1 | |
| SCHEMBL1494043 | 0.77 | HTR2A (0.46) | HTR2ASLC6A4KCNH2CYP2D6HTT | |
| SCHEMBL16961963 | 0.76 | ADRA2A (0.38) | HTR2ASLC6A4KCNH2CYP2D6ADRA2A |
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 |