Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | HTR2B | P41595 | 2/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.33 |
| ▸ | EIF4A3 | P38919 | 2/20 | 0.33 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.33 |
| ▸ | PANK3 | Q9H999 | 2/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.31 |
| ▸ | CA1 | P00915 | 2/20 | 0.31 |
| ▸ | CA2 | P00918 | 2/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | FAAH | O00519 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL16958032 | 0.80 | ALDH1A1 (0.39) | PDE2ALMNASLC6A2HTR2BTRPA1 | |
| SCHEMBL9945904 | 0.80 | TYR (0.47) | HPGDTSHR | |
| SCHEMBL24370508 | 0.78 | CNR2 (0.41) | PDE2ALMNANFE2L2CYP3A4TSHR | |
| SCHEMBL19578787 | 0.78 | NFE2L2 (0.37) | PDE2ALMNASLC6A2HTR2BTRPA1 | |
| SCHEMBL16958811 | 0.78 | PTGS1 (0.42) | LMNASLC6A2HTR2BTRPA1CHRM1 | |
| SCHEMBL16955280 | 0.76 | LMNA (0.38) | PDE2ALMNASLC6A2HTR2BTRPA1 | |
| SCHEMBL16955091 | 0.76 | GABRA1 (0.38) | LMNASLC6A2HTR2BTRPA1CHRM1 | |
| SCHEMBL16952295 | 0.76 | NOTUM (0.40) | PDE2ALMNASLC6A2HTR2BTRPA1 | |
| SCHEMBL16958931 | 0.76 | EGFR (0.33) | LMNASLC6A2HTR2BTRPA1CHRM1 | |
| SCHEMBL19578782 | 0.75 | KDM4E (0.56) | LMNAHDAC6CA1CA2ESR1 |
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 |