Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 1/20 | 0.57 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | BRAF | P15056 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16957734 | 0.97 | KMO (0.53) | KMOHDAC4HDAC2HDAC8DRD3 | |
| SCHEMBL16950339 | 0.95 | KMO (0.50) | KMOHDAC4HDAC2HDAC8DRD3 | |
| SCHEMBL16957282 | 0.82 | KMO (0.64) | KMOHDAC4HDAC2HDAC8DRD3 | |
| SCHEMBL19862476 | 0.79 | KMO (0.70) | KMOHDAC4HDAC2HDAC8DRD3 | |
| SCHEMBL16960703 | 0.79 | KMO (0.59) | KMOHDAC4HDAC2HDAC8DRD3 | |
| SCHEMBL16959965 | 0.78 | CNR1 (0.33) | KMO | |
| SCHEMBL9338681 | 0.78 | KMO (0.73) | KMOHDAC4HDAC2HDAC8DRD3 | |
| SCHEMBL16957389 | 0.77 | KMO (0.57) | KMOHDAC4HDAC2HDAC8DRD3 | |
| SCHEMBL16961077 | 0.75 | KMO (0.55) | KMOHDAC4HDAC2HDAC8DRD3 | |
| SCHEMBL778529 | 0.75 | HDAC4 (0.63) | KMOHDAC4HDAC2HDAC8DRD3 |
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 |