Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.38 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.38 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.38 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.38 |
| ▸ | UGT1A7 | Q9HAW7 | 1/20 | 0.38 |
| ▸ | SLC22A11 | Q9NSA0 | 1/20 | 0.38 |
| ▸ | HCAR3 | P49019 | 4/20 | 0.37 |
| ▸ | RXRA | P19793 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CTRC | Q99895 | 1/20 | 0.34 |
| ▸ | TTR | P02766 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | TPMT | P51580 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1816292 | 0.86 | ALDH1A1 (0.40) | BACE1SMN1; SMN2RAB9AKMT2AALDH1A1 | |
| SCHEMBL1813973 | 0.80 | PSEN1 (0.35) | BACE1ALDH1A1NPSR1ESR1 | |
| SCHEMBL2021183 | 0.79 | TTR (0.38) | BACE1SMN1; SMN2KMT2ACTRCTTR | |
| SCHEMBL1812360 | 0.77 | BACE1 (0.35) | BACE1ALDH1A1NPSR1 | |
| SCHEMBL11677713 | 0.75 | KMT2A (0.51) | SMN1; SMN2RAB9AHCAR3KMT2ACTRC | |
| SCHEMBL3349338 | 0.75 | HCAR3 (0.43) | HCAR3RXRACTRCTTRALDH1A1 | |
| SCHEMBL2814523 | 0.74 | TTR (0.39) | SMN1; SMN2HCAR3KMT2ACTRCTTR | |
| SCHEMBL15295913 | 0.74 | TTR (0.39) | SMN1; SMN2RAB9AHCAR3KMT2ACTRC | |
| SCHEMBL898570 | 0.73 | TTR (0.44) | SMN1; SMN2CA12CA2CA9KMT2A | |
| SCHEMBL16142630 | 0.72 | HCAR3 (0.34) | CA12HCAR3RXRACTRCTTR |
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-1689713-A4 | BENZYLETHER AND BENZYLAMINO BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER S DISEASE | MERCK & CO INC (US) | 2009-02-18 | — | — | EP | disclosed |
| EP-1689713-A1 | BENZYLETHER AND BENZYLAMINO BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER S DISEASE | Merck & Co., Inc. (US) | 2006-08-16 | — | — | EP | disclosed |
| WO-2005051914-A1 | BENZYLETHER AND BENZYLAMINO BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO., INC. (US) | 2005-06-09 | — | — | WO | disclosed |