Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Nilutamide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR known ✓ | P10275 | 12/20 | 0.69 |
| ▸ | MEN1 | O00255 | 1/20 | 0.69 |
| ▸ | LMNA | P02545 | 1/20 | 0.69 |
| ▸ | TP53 | P04637 | 1/20 | 0.69 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.69 |
| ▸ | PGR | P06401 | 1/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.69 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.69 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.69 |
| ▸ | TSHR | P16473 | 1/20 | 0.69 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.69 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.69 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.69 |
| ▸ | RAB9A | P51151 | 1/20 | 0.69 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.69 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.69 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.69 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.69 |
| ▸ | GRM8 | O00222 | 1/20 | 0.41 |
| ▸ | GRM6 | O15303 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Nilutamide SCHEMBL20695037 | 0.86 | AR (0.89) | ARMEN1LMNATP53CYP1A2 | |
| Nilutamide SCHEMBL12670 | 0.83 | AR (1.00) | ARMEN1LMNATP53CYP1A2 | |
| Nilutamide SCHEMBL29351021 | 0.83 | AR (1.00) | ARMEN1LMNATP53CYP1A2 | |
| Nilutamide SCHEMBL1462011 | 0.83 | AR (1.00) | ARMEN1LMNATP53CYP1A2 | |
| Nilutamide SCHEMBL5579273 | 0.82 | AR (0.89) | ARMEN1LMNATP53CYP1A2 | |
| Nilutamide SCHEMBL28562851 | 0.82 | AR (0.98) | ARMEN1LMNATP53CYP1A2 | |
| Nilutamide SCHEMBL115340 | 0.76 | AR (0.73) | ARMEN1LMNATP53CYP1A2 | |
| SCHEMBL10324758 | 0.75 | AR (0.81) | ARMEN1LMNATP53CYP1A2 | |
| SCHEMBL332500 | 0.74 | AR (0.73) | ARMEN1LMNATP53CYP1A2 | |
| SCHEMBL10554935 | 0.74 | AR (0.73) | ARMEN1LMNATP53CYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1853539-A2 | HONOKIOL DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISORDERS | Arbiser, Jack (US) | 2007-11-14 | — | — | EP | disclosed |
| WO-2006107451-A2 | HONOKIOL DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISORDERS | UNIV EMORY (US) | 2006-10-12 | — | — | WO | disclosed |