Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TTR | P02766 | 1/20 | 0.39 |
| ▸ | ALB | P02768 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.31 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.31 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA3 | P07451 | 1/20 | 0.30 |
| ▸ | CA6 | P23280 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.30 |
| ▸ | CASP3 | P42574 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16950929 | 0.80 | TTR (0.38) | TTRALBCYP2A6IMPDH2IMPDH1 | |
| SCHEMBL16958329 | 0.79 | CYP2A6 (0.40) | CYP2A6ALDH1A1GLAIMPDH2IMPDH1 | |
| SCHEMBL16957073 | 0.79 | CYP2A6 (0.35) | CYP2A6ALDH1A1GLAIMPDH2IMPDH1 | |
| SCHEMBL16955710 | 0.79 | CYP2A6 (0.35) | CYP2A6ALDH1A1GLAIMPDH2IMPDH1 | |
| SCHEMBL16952069 | 0.78 | VCAM1 (0.42) | CYP2A6ALDH1A1GLATRPV4MEN1 | |
| SCHEMBL16952156 | 0.78 | GAA (0.38) | CYP2A6ALDH1A1GLATRPV4 | |
| SCHEMBL16961692 | 0.78 | MEN1 (0.35) | TTRALBCYP2A6ALDH1A1GLA | |
| SCHEMBL16960141 | 0.77 | TTR (0.32) | TTRALB | |
| SCHEMBL16955572 | 0.77 | TTR (0.36) | TTRALBCA12CA2CA3 | |
| SCHEMBL16955918 | 0.75 | AR (0.46) | ALDH1A1MEN1KMT2A |
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 |