Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | APLNR | P35414 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | AHR | P35869 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL16955128 | 0.87 | ADRA1A (0.36) | HTTADRA2AADRA1AAPLNRALDH1A1 | |
| SCHEMBL16956422 | 0.87 | NQO1 (0.42) | ALDH1A1TP53CYP3A4TSHRESR1 | |
| SCHEMBL16951698 | 0.83 | CYP2D6 (0.41) | HTTADRA2AADRA1AAPLNRCYP2D6 | |
| SCHEMBL16955353 | 0.81 | PDE2A (0.38) | TSHRPOLBCHRM2CHRM1CHRM3 | |
| SCHEMBL18122879 | 0.79 | CYP2D6 (0.43) | HTTADRA2AADRA1AAPLNRCYP2D6 | |
| SCHEMBL16951739 | 0.79 | ADRA2A (0.37) | HTTADRA2AADRA1AAPLNRPOLB | |
| SCHEMBL16956232 | 0.79 | ADRA2A (0.44) | HTTADRA2AADRA1ATSHRSMN1; SMN2 | |
| SCHEMBL16951208 | 0.79 | ADRA2A (0.41) | ADRA2AADRA1AAPLNRPOLBHSD17B10 | |
| SCHEMBL16951609 | 0.77 | SRC (0.34) | ALDH1A1TP53SMN1; SMN2POLB | |
| SCHEMBL16961188 | 0.77 | CYP2D6 (0.39) | HTTADRA2AADRA1AALDH1A1TP53 |
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 |