Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | PDE2A | O00408 | 3/20 | 0.41 |
| ▸ | RXRA | P19793 | 1/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.39 |
| ▸ | POLQ | O75417 | 4/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.36 |
| ▸ | CFTR | P13569 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16952454 | 0.84 | CES2 (0.46) | CES2PDE2ARXRANR1H2NR1H3 | |
| SCHEMBL24908522 | 0.79 | ALDH1A1 (0.54) | CES2RXRACYP2C19KDM4EALDH1A1 | |
| SCHEMBL16950504 | 0.79 | CES2 (0.41) | CES2PDE2ACYP2C19KDM4EALDH1A1 | |
| SCHEMBL24720949 | 0.79 | JAK2 (0.50) | CES2POLQCYP2C19KDM4EALDH1A1 | |
| SCHEMBL16961328 | 0.78 | CES2 (0.40) | CES2PDE2ARXRANR1H2NR1H3 | |
| SCHEMBL16959559 | 0.78 | PDE2A (0.47) | CES2PDE2AALDH1A1HPGDMRGPRX4 | |
| SCHEMBL16956625 | 0.78 | CES2 (0.40) | CES2PDE2ARXRANR1H2NR1H3 | |
| SCHEMBL16955595 | 0.77 | CES2 (0.38) | CES2KDM4EALDH1A1HSD17B10 | |
| SCHEMBL16959302 | 0.76 | SLC6A2 (0.37) | PDE2A | |
| SCHEMBL22841252 | 0.76 | CES2 (0.39) | CES2PDE2ARXRANR1H2NR1H3 |
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 |