Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | SHBG | P04278 | 1/20 | 0.40 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.38 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CASP6 | P55212 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | KIF11 | P52732 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL15823224 | 0.88 | ACHE (0.37) | ACHESHBGCYP4F2CYP4A11PTGS1 | |
| SCHEMBL21358229 | 0.84 | S1PR1 (0.36) | ACHESHBGCYP4F2CYP4A11PTGS1 | |
| SCHEMBL95656 | 0.78 | ACHE (0.46) | ACHESHBGCYP4F2CYP4A11PTGS1 | |
| SCHEMBL16901727 | 0.77 | ALDH1A1 (0.44) | MAPTKDM4ETSHRHSD17B10 | |
| SCHEMBL31255133 | 0.77 | ACHE (0.36) | ACHESHBGCYP4F2CYP4A11PTGS1 | |
| SCHEMBL670778 | 0.76 | SHBG (0.58) | ACHESHBGPTGS1PTGS2ESR1 | |
| SCHEMBL13199148 | 0.76 | ACHE (0.43) | ACHESHBGCYP4F2CYP4A11ESR1 | |
| SCHEMBL17295140 | 0.76 | PTGS2 (0.41) | PTGS1PTGS2TRPA1ESR1ESR2 | |
| SCHEMBL24357674 | 0.75 | ACHE (0.34) | ACHESHBGCYP4F2CYP4A11PTGS1 | |
| SCHEMBL29545312 | 0.75 | ACHE (0.34) | ACHESHBGCYP4F2CYP4A11PTGS1 |
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 |