Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 4/20 | 0.61 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | DAO | P14920 | 1/20 | 0.31 |
| ▸ | DDO | Q99489 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | PIM1 | P11309 | 1/20 | 0.30 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 2/20 | 0.30 |
| ▸ | MAPT | P10636 | 2/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL16958671 | 0.85 | GABRA1 (0.42) | GABRA1GABRB2ALDH1A1DAO | |
| SCHEMBL15524298 | 0.82 | GABRA1 (0.37) | GABRA1GABRB2ALDH1A1LMNAMAPT | |
| SCHEMBL16955760 | 0.80 | GABRA1 (0.35) | GABRA1GABRB2ALDH1A1LMNAMAPT | |
| SCHEMBL15524174 | 0.80 | ALDH1A1 (0.39) | GABRA1GABRB2ALDH1A1LMNAMAPT | |
| SCHEMBL16953361 | 0.80 | GABRA1 (0.61) | GABRA1GABRB2DAODDOMAOA | |
| SCHEMBL420437 | 0.79 | GABRA1 (0.43) | GABRA1GABRB2ALDH1A1MAOAPIM1 | |
| SCHEMBL14959 | 0.79 | ALDH1A1 (0.44) | GABRA1GABRB2ALDH1A1MAOATSHR | |
| SCHEMBL29749448 | 0.79 | ALDH1A1 (0.44) | GABRA1GABRB2ALDH1A1MAOATSHR | |
| SCHEMBL27516529 | 0.79 | ALDH1A1 (0.44) | GABRA1GABRB2ALDH1A1MAOATSHR | |
| SCHEMBL62557 | 0.78 | GABRA1 (1.00) | GABRA1GABRB2DAOTSHRMAPT |
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 |