Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 3/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | DRD4 | P21917 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | DRD3 | P35462 | 1/20 | 0.30 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.30 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16959852 | 0.87 | ADRA2A (0.35) | GABRA1HTR2AHTR2CADRA2AADRA2B | |
| SCHEMBL16951280 | 0.84 | GABRA1 (0.32) | GABRA1GABRB2 | |
| SCHEMBL16960511 | 0.83 | GABRA1 (0.35) | GABRA1GABRB2 | |
| SCHEMBL16951488 | 0.79 | GABRA1 (0.39) | GABRA1GABRB2HTR2C | |
| SCHEMBL16956274 | 0.79 | ALDH1A1 (0.37) | GABRA1HTR1AHTR2AHTR2CADRA2A | |
| SCHEMBL16950667 | 0.77 | MAP3K14 (0.35) | GABRA1GABRB2HTR2C | |
| SCHEMBL16950597 | 0.77 | ADRA2A (0.36) | HTR1AHTR2CADRA2AADRA2BADRA2C | |
| SCHEMBL16955804 | 0.76 | IDO1 (0.32) | — | |
| SCHEMBL16953574 | 0.76 | — | — | |
| SCHEMBL16956819 | 0.76 | ABCB1 (0.41) | HTR1ADRD2HTR2CDRD3 |
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 |