Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | RECQL | P46063 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | SYK | P43405 | 2/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 6/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | PLG | P00747 | 1/20 | 0.38 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.38 |
| ▸ | C1S | P09871 | 1/20 | 0.38 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.38 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.38 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16953600 | 0.82 | KMT2A (0.50) | KMT2ATSHR | |
| SCHEMBL16956896 | 0.82 | TBXAS1 (0.38) | ALDH1A1RECQLPRSS1F2PLG | |
| SCHEMBL688911 | 0.82 | ALDH1A1 (0.57) | ALDH1A1RECQLTBXAS1 | |
| SCHEMBL16953412 | 0.81 | LTA4H (0.53) | KMT2ATSHR | |
| SCHEMBL16957855 | 0.81 | MAPK1 (0.43) | ALDH1A1SYKTBXAS1CYP2D6KMT2A | |
| SCHEMBL48418 | 0.80 | ALDH1A1 (0.70) | ALDH1A1RECQLGAASYKNR1I2 | |
| Ethylene Glycol SCHEMBL7206927 | 0.78 | ALDH1A1 (0.67) | ALDH1A1RECQLGAASYKNR1I2 | |
| SCHEMBL694324 | 0.78 | TP53 (0.53) | ALDH1A1GAACYP2D6TSHR | |
| SCHEMBL3715239 | 0.77 | ALDH1A1 (0.64) | ALDH1A1RECQLGAASYKPRSS1 | |
| SCHEMBL3471134 | 0.76 | ALDH1A1 (0.57) | ALDH1A1RECQLGAASYKNR1I2 |
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 |