Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | BRAF | P15056 | 1/20 | 0.34 |
| ▸ | RORC | P51449 | 4/20 | 0.32 |
| ▸ | IDO1 | P14902 | 2/20 | 0.32 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.32 |
| ▸ | LCK | P06239 | 1/20 | 0.31 |
| ▸ | CCR2 | P41597 | 1/20 | 0.31 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.31 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.30 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.30 |
| ▸ | IDH1 | O75874 | 2/20 | 0.30 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.30 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.30 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.30 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1420814 | 0.90 | BACE1 (0.35) | BACE1BRAFRORCIDO1AAK1 | |
| SCHEMBL1420827 | 0.85 | BACE1 (0.35) | BACE1BRAFRORCAAK1LCK | |
| SCHEMBL1420673 | 0.84 | BACE1 (0.39) | BACE1BRAFRORCCYP17A1 | |
| SCHEMBL1420882 | 0.84 | HCRTR1 (0.36) | BACE1AAK1LCKHCRTR1HCRTR2 | |
| SCHEMBL1421089 | 0.82 | BRAF (0.33) | BACE1BRAFRORCIDO1AAK1 | |
| SCHEMBL1421247 | 0.82 | RAB9A (0.36) | BACE1IDO1CCR2 | |
| SCHEMBL3187951 | 0.79 | BRAF (0.34) | BACE1BRAFRORCIDO1AAK1 | |
| SCHEMBL4307798 | 0.78 | SLC9A1 (0.34) | CCR2SLC9A1 | |
| SCHEMBL1420977 | 0.77 | SYK (0.37) | BACE1CCR2CYP17A1HCRTR1HCRTR2 | |
| SCHEMBL1421136 | 0.75 | ABL1 (0.36) | BACE1BRAFRORCCYP17A1 |
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-2297120-A1 | AMINODIHYDROTHIAZINE DERIVATIVES AS BACE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | Eli Lilly & Company (US) | 2011-03-23 | — | — | EP | disclosed |
| WO-2009134617-A1 | AMINODIHYDROTHIAZINE DERIVATIVES AS BACE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | ELI LILLY AND COMPANY (US) | 2009-11-05 | — | — | WO | disclosed |