Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 20/20 | 0.48 |
| ▸ | BACE2 | Q9Y5Z0 | 10/20 | 0.48 |
| ▸ | CTSD | P07339 | 8/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | REN | P00797 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3189564 | 0.99 | BACE1 (0.47) | BACE1BACE2CTSDCYP2C19REN | |
| SCHEMBL1421094 | 0.84 | BACE1 (0.44) | BACE1BACE2CTSDCYP2C19REN | |
| SCHEMBL3185885 | 0.84 | BACE1 (0.38) | BACE1BACE2CTSDCYP2C19REN | |
| SCHEMBL1422169 | 0.81 | BACE1 (0.37) | BACE1BACE2CTSDCYP2C19REN | |
| Hydrochloric Acid SCHEMBL17004568 | 0.80 | BACE1 (0.69) | BACE1BACE2CTSDKCNH2 | |
| Hydrochloric Acid SCHEMBL17004570 | 0.80 | BACE1 (0.69) | BACE1BACE2CTSDKCNH2 | |
| SCHEMBL3182227 | 0.72 | BACE1 (0.36) | BACE1BACE2CTSDCYP2C19REN | |
| SCHEMBL1421086 | 0.72 | BACE1 (0.46) | BACE1BACE2CTSDCYP2C19REN | |
| SCHEMBL7990965 | 0.71 | ABL1 (0.35) | BACE1BACE2CTSDREN | |
| SCHEMBL13306374 | 0.69 | BACE1 (0.58) | BACE1BACE2CTSDCYP2C19REN |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |