Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.40 |
| ▸ | PDE2A | O00408 | 3/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | CFTR | P13569 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.33 |
| ▸ | MTOR | P42345 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16960591 | 0.82 | CES2 (0.44) | CES2PDE2ANOTUMKDM4EALDH1A1 | |
| SCHEMBL16950504 | 0.81 | CES2 (0.41) | CES2PDE2ANOTUMKDM4EALDH1A1 | |
| SCHEMBL16959559 | 0.79 | PDE2A (0.47) | CES2PDE2AALDH1A1HPGDGAA | |
| SCHEMBL16956711 | 0.79 | AR (0.44) | CES2PDE2ACYP2C19CYP2D6CYP1A2 | |
| SCHEMBL28987801 | 0.79 | CES2 (0.42) | CES2PDE2ANOTUMKDM4EALDH1A1 | |
| SCHEMBL16957261 | 0.78 | CES2 (0.42) | CES2PDE2ANOTUMKDM4EALDH1A1 | |
| SCHEMBL16959796 | 0.77 | CES2 (0.35) | CES2NOTUMALDH1A1 | |
| SCHEMBL16962090 | 0.76 | GPR3 (0.37) | PDE2AKDM4EGAACYP2C9 | |
| SCHEMBL16956715 | 0.75 | CES2 (0.39) | CES2PDE2ANOTUMKDM4EALDH1A1 | |
| SCHEMBL16957026 | 0.74 | CYP2C19 (0.55) | PDE2AKDM4EALDH1A1HPGDHSD17B10 |
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 |