Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | FLT3 | P36888 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | AOC3 | Q16853 | 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 | |
|---|---|---|---|---|
| SCHEMBL16952488 | 0.87 | ALDH1A1 (0.46) | ABCB11ALDH1A1TSHRMAPK1CYP2C9 | |
| SCHEMBL16954769 | 0.83 | BRD4 (0.35) | — | |
| SCHEMBL16957231 | 0.83 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL16962078 | 0.81 | — | — | |
| SCHEMBL16955690 | 0.81 | CYP4F2 (0.39) | ALDH1A1MAPK1CYP3A4 | |
| SCHEMBL16953674 | 0.81 | ABCB11 (0.37) | ABCB11ALDH1A1TSHRMAPK1CYP2C9 | |
| SCHEMBL16955485 | 0.81 | ABCB11 (0.40) | ABCB11ALDH1A1TSHRMAPK1CYP2C9 | |
| SCHEMBL16955411 | 0.80 | — | — | |
| SCHEMBL16958991 | 0.80 | CNR2 (0.35) | — | |
| SCHEMBL16955307 | 0.79 | ABCB11 (0.36) | ABCB11ALDH1A1TSHRMAPK1CYP2C9 |
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 |