Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.54 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.54 |
| ▸ | BACE1 | P56817 | 1/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 11/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 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 | |
|---|---|---|---|---|
| SCHEMBL29417920 | 0.90 | SIGMAR1 (0.49) | ESR1ESR2BACE1SIGMAR1TP53 | |
| SCHEMBL29417922 | 0.90 | SIGMAR1 (0.49) | ESR1ESR2BACE1SIGMAR1TP53 | |
| SCHEMBL30298333 | 0.79 | SIGMAR1 (0.44) | ESR1ESR2SIGMAR1TP53CYP1A2 | |
| SCHEMBL7549093 | 0.79 | SIGMAR1 (0.44) | ESR1ESR2SIGMAR1TP53CYP1A2 | |
| SCHEMBL30298335 | 0.79 | SIGMAR1 (0.44) | ESR1ESR2SIGMAR1TP53CYP1A2 | |
| Methyl Alcohol SCHEMBL14815579 | 0.76 | SIGMAR1 (0.42) | ESR1ESR2SIGMAR1TP53ALDH1A1 | |
| SCHEMBL3706515 | 0.76 | DGAT1 (0.45) | TP53TSHRALDH1A1 | |
| SCHEMBL7154324 | 0.75 | MAOB (0.50) | BACE1SIGMAR1TP53CYP1A2CYP3A4 | |
| SCHEMBL28879781 | 0.75 | SIGMAR1 (0.43) | BACE1SIGMAR1TP53CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL27522473 | 0.74 | MAOB (0.48) | BACE1SIGMAR1TP53CYP1A2CYP3A4 |
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-2257167-A1 | 2-AMINOIMIDAZOLE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | Merck Sharp & Dohme Corp. (US) | 2010-12-08 | — | — | EP | disclosed |
| WO-2009108550-A1 | 2-AMINOIMIDAZOLE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO., INC. (US) | 2009-09-03 | — | — | WO | disclosed |