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 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | PPARD | Q03181 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | BRD4 | O60885 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | RAD52 | P43351 | 1/20 | 0.35 |
| ▸ | CCL2 | P13500 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | APOBEC3G | Q9HC16 | 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 | |
|---|---|---|---|---|
| SCHEMBL16951245 | 0.85 | CHRNB2 (0.39) | CHRNB2CHRNA4NQO1TP53CYP3A4 | |
| SCHEMBL16957897 | 0.84 | CYP2D6 (0.39) | CHRNB2CHRNA4CYP3A4KMT2AMEN1 | |
| SCHEMBL16952558 | 0.84 | CHRNB2 (0.39) | CHRNB2CHRNA4NQO1TP53CYP3A4 | |
| SCHEMBL16957258 | 0.79 | CHRNB2 (0.43) | CHRNB2CHRNA4NQO1TP53CYP3A4 | |
| SCHEMBL16957262 | 0.77 | NQO1 (0.45) | CHRNB2CHRNA4NQO1TP53CYP3A4 | |
| SCHEMBL16956973 | 0.75 | CHRNB2 (0.41) | CHRNB2CHRNA4NQO1TP53CYP3A4 | |
| SCHEMBL16957952 | 0.75 | ADRA2A (0.35) | TP53SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL16956975 | 0.75 | CHRNB2 (0.41) | CHRNB2CHRNA4NQO1TP53CYP3A4 | |
| SCHEMBL16952396 | 0.75 | NQO1 (0.46) | NQO1TP53CYP3A4AKR1C3AKR1C2 | |
| SCHEMBL16958552 | 0.75 | NQO1 (0.46) | NQO1TP53CYP3A4AKR1C3AKR1C2 |
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 |