Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 4/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.32 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA3 | P07451 | 1/20 | 0.31 |
| ▸ | CA6 | P23280 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CASP3 | P42574 | 1/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 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 | |
|---|---|---|---|---|
| SCHEMBL10304761 | 0.84 | CYP2A6 (0.43) | CYP2A6ALDH1A1ARCYP11B1CYP11B2 | |
| SCHEMBL16959497 | 0.81 | CYP2A6 (0.38) | CYP2A6ALDH1A1ARCYP11B1CYP11B2 | |
| SCHEMBL16955710 | 0.81 | CYP2A6 (0.35) | CYP2A6ALDH1A1ARGLAIMPDH2 | |
| SCHEMBL16957073 | 0.81 | CYP2A6 (0.35) | CYP2A6ALDH1A1GLAIMPDH2IMPDH1 | |
| SCHEMBL25123901 | 0.80 | ALDH1A1 (0.36) | CYP2A6ALDH1A1ARCYP11B1CYP11B2 | |
| SCHEMBL16952069 | 0.79 | VCAM1 (0.42) | CYP2A6ALDH1A1ARGLACA2 | |
| SCHEMBL16955078 | 0.79 | TTR (0.39) | CYP2A6ALDH1A1GLAIMPDH2IMPDH1 | |
| SCHEMBL16952156 | 0.79 | GAA (0.38) | CYP2A6ALDH1A1CYP11B2GLATRPV4 | |
| SCHEMBL16961692 | 0.79 | MEN1 (0.35) | CYP2A6ALDH1A1GLAIMPDH2IMPDH1 | |
| SCHEMBL16956363 | 0.79 | FFAR1 (0.36) | CYP2A6ALDH1A1ARFFAR1CA12 |
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 |