Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 19/20 | 0.46 |
| ▸ | BACE2 | Q9Y5Z0 | 12/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CTSD | P07339 | 3/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2619820 | 1.00 | BACE1 (0.46) | BACE1BACE2KCNH2CYP2D6CTSD | |
| SCHEMBL2619799 | 0.99 | BACE1 (0.47) | BACE1BACE2KCNH2CYP2D6CTSD | |
| SCHEMBL2631688 | 0.99 | BACE1 (0.47) | BACE1BACE2KCNH2CYP2D6CTSD | |
| SCHEMBL2620113 | 0.99 | BACE1 (0.47) | BACE1BACE2KCNH2CYP2D6CTSD | |
| SCHEMBL13177595 | 0.96 | BACE1 (0.49) | BACE1BACE2KCNH2CYP2D6CTSD | |
| SCHEMBL2619803 | 0.96 | BACE1 (0.49) | BACE1BACE2KCNH2CYP2D6CTSD | |
| SCHEMBL8035988 | 0.96 | BACE1 (0.49) | BACE1BACE2KCNH2CYP2D6CTSD | |
| SCHEMBL15171566 | 0.90 | BACE1 (0.44) | BACE1BACE2KCNH2CYP2D6CTSD | |
| SCHEMBL8030670 | 0.89 | BACE1 (0.40) | BACE1BACE2 | |
| SCHEMBL2619812 | 0.89 | BACE1 (0.40) | BACE1BACE2 |
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 |