Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 20/20 | 0.53 |
| ▸ | BACE2 | Q9Y5Z0 | 3/20 | 0.46 |
| ▸ | CTSD | P07339 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2623055 | 0.84 | BACE1 (0.60) | BACE1BACE2CTSDCYP2D6 | |
| SCHEMBL8032243 | 0.83 | BACE1 (0.56) | BACE1BACE2CTSDCYP2D6 | |
| SCHEMBL2930683 | 0.82 | BACE1 (0.42) | BACE1BACE2CTSDCYP2D6KCNH2 | |
| SCHEMBL2930681 | 0.82 | BACE1 (0.42) | BACE1BACE2CTSDCYP2D6KCNH2 | |
| SCHEMBL2930969 | 0.82 | BACE1 (0.42) | BACE1BACE2CTSDCYP2D6KCNH2 | |
| SCHEMBL8029295 | 0.82 | BACE1 (0.45) | BACE1BACE2CTSDKCNH2 | |
| SCHEMBL13177463 | 0.80 | BACE1 (0.51) | BACE1BACE2CTSDCYP2D6KCNH2 | |
| SCHEMBL21470557 | 0.80 | BACE1 (0.51) | BACE1BACE2CTSDCYP2D6KCNH2 | |
| SCHEMBL18076268 | 0.80 | BACE1 (0.51) | BACE1BACE2CTSDCYP2D6KCNH2 | |
| SCHEMBL2108012 | 0.79 | BACE1 (0.36) | BACE1BACE2CYP2D6KCNH2 |
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-2009091016-A1 | CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE | EISAI R & D MANAGEMENT CO., LTD. (JP) | 2009-07-23 | — | — | WO | disclosed |