Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | NQO1 | P15559 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | PPARD | Q03181 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 2/20 | 0.35 |
| ▸ | CCL2 | P13500 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.35 |
| ▸ | BRD2 | P25440 | 1/20 | 0.35 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16957548 | 0.84 | CHRNB2 (0.41) | CHRNB2CHRNA4NQO1SLC6A2SLC6A4 | |
| SCHEMBL16955654 | 0.82 | HTR2C (0.41) | CHRNB2CHRNA4MEN1KMT2AALDH1A1 | |
| SCHEMBL16951245 | 0.79 | CHRNB2 (0.39) | CHRNB2CHRNA4NQO1SLC6A2SLC6A4 | |
| SCHEMBL16957258 | 0.79 | CHRNB2 (0.43) | CHRNB2CHRNA4NQO1SLC6A2SLC6A4 | |
| SCHEMBL16957262 | 0.77 | NQO1 (0.45) | CHRNB2CHRNA4NQO1SLC6A2SLC6A4 | |
| SCHEMBL16951242 | 0.77 | KDM4E (0.38) | CHRNB2CHRNA4NQO1SLC6A2SLC6A4 | |
| SCHEMBL16955137 | 0.75 | SLC6A4 (0.33) | SLC6A2SLC6A4SLC6A3TP53NPC1 | |
| SCHEMBL16956973 | 0.75 | CHRNB2 (0.41) | CHRNB2CHRNA4NQO1SLC6A2SLC6A4 | |
| SCHEMBL16955210 | 0.75 | TRPV1 (0.40) | SLC6A2SLC6A3TP53CYP3A4PPARD | |
| SCHEMBL16952304 | 0.75 | CHRNB2 (0.41) | CHRNB2CHRNA4NQO1SLC6A2SLC6A4 |
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 |