Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.55 |
| ▸ | CES1 | P23141 | 3/20 | 0.55 |
| ▸ | MAOB | P27338 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.47 |
| ▸ | BRAF | P15056 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL20415230 | 0.86 | CES2 (0.53) | CES2CES1MAOBNPSR1ALDH1A1 | |
| SCHEMBL20415256 | 0.82 | EGFR (0.49) | CES2CES1MAOBNPSR1ALDH1A1 | |
| SCHEMBL26665153 | 0.80 | CES2 (0.57) | CES2CES1MAOBNPSR1ALDH1A1 | |
| SCHEMBL29293530 | 0.79 | ALDH1A1 (0.46) | CES2CES1MAOBNPSR1ALDH1A1 | |
| SCHEMBL20415259 | 0.79 | OPRK1 (0.46) | CES2CES1MAOBNPSR1ALDH1A1 | |
| SCHEMBL9859751 | 0.78 | HTT (0.60) | CES2CES1MAOBNPSR1ALDH1A1 | |
| SCHEMBL11099529 | 0.78 | CA12 (0.48) | CES2CES1MAOBNPSR1ALDH1A1 | |
| SCHEMBL13484610 | 0.78 | CES2 (0.44) | CES2CES1MAOBNPSR1ALDH1A1 | |
| SCHEMBL20415346 | 0.78 | NTSR1 (0.45) | CES2CES1MAOBNPSR1ALDH1A1 | |
| SCHEMBL20415255 | 0.77 | CES2 (0.58) | CES2CES1MAOBNPSR1ALDH1A1 |
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-4397652-A2 | 3-(PHENYL)-2-(AMINOMETHYL)-1-PHENYL-2-PROPEN-1-ONE DERIVATIVES AS INHIBITORS OF THE N-TERMINAL DOMAIN OF THE ANDROGEN RECEPTOR FOR TREATING PROSTATE CANCER | The Regents of the University of California (US) | 2024-07-10 | — | — | EP | disclosed |
| CN-110325508-B | Inhibitors of the N-terminal domain of androgen receptor | 加利福尼亚大学董事会 | 2023-06-30 | — | — | CN | disclosed |