Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | FDPS | P14324 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ARG1 | P05089 | 1/20 | 0.39 |
| ▸ | ARG2 | P78540 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 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 | |
|---|---|---|---|---|
| SCHEMBL2778837 | 0.83 | SMN1; SMN2 (0.48) | SMN1; SMN2HIF1ASLC6A2TAAR1CYP1A2 | |
| SCHEMBL8643657 | 0.82 | SLC6A2 (0.52) | SMN1; SMN2HIF1ASLC6A2TAAR1CYP1A2 | |
| SCHEMBL20495946 | 0.81 | HIF1A (0.50) | SMN1; SMN2HIF1ASLC6A2TAAR1CYP1A2 | |
| Water SCHEMBL18127929 | 0.79 | HIF1A (0.48) | SMN1; SMN2HIF1ASLC6A2TAAR1CYP1A2 | |
| Fluoride SCHEMBL9441193 | 0.79 | HIF1A (0.48) | SMN1; SMN2HIF1ASLC6A2TAAR1CYP1A2 | |
| Hydrochloric Acid SCHEMBL9306291 | 0.79 | SMN1; SMN2 (0.48) | SMN1; SMN2HIF1ASLC6A2TAAR1CYP1A2 | |
| SCHEMBL14935111 | 0.78 | CYP2C19 (0.50) | SMN1; SMN2HIF1ASLC6A2TAAR1CYP1A2 | |
| SCHEMBL9271997 | 0.78 | TAAR1 (0.58) | SMN1; SMN2HIF1ASLC6A2TAAR1CYP1A2 | |
| SCHEMBL15637553 | 0.78 | SLC6A2 (0.57) | SMN1; SMN2HIF1ASLC6A2TAAR1CYP1A2 | |
| SCHEMBL11141085 | 0.77 | SLC6A2 (0.56) | SMN1; SMN2HIF1ASLC6A2TAAR1CYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1673078-A4 | BENZYLETHER AND BENZYLAMINO BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO INC (US) | 2007-04-18 | — | — | EP | disclosed |
| EP-1673078-A2 | BENZYLETHER AND BENZYLAMINO BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | Merck & Co., Inc. (US) | 2006-06-28 | — | — | EP | disclosed |
| WO-2005032471-A2 | BENZYLETHER AND BENZYLAMINO BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO., INC. (US) | 2005-04-14 | — | — | WO | disclosed |