Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 19/20 | 0.56 |
| ▸ | BACE2 | Q9Y5Z0 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.51 |
| ▸ | CTSD | P07339 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL17169010 | 0.84 | NPC1 (0.68) | BACE1BACE2SMN1; SMN2KCNH2CTSD | |
| SCHEMBL20852322 | 0.84 | NPC1 (0.56) | BACE1BACE2SMN1; SMN2 | |
| SCHEMBL17340623 | 0.83 | NPC1 (0.70) | BACE1BACE2SMN1; SMN2KCNH2CTSD | |
| SCHEMBL10193569 | 0.81 | BACE1 (0.67) | BACE1BACE2 | |
| SCHEMBL15443905 | 0.81 | BACE1 (0.63) | BACE1BACE2SMN1; SMN2KCNH2CTSD | |
| SCHEMBL17850172 | 0.81 | BACE1 (0.57) | BACE1BACE2SMN1; SMN2KCNH2CTSD | |
| SCHEMBL19316428 | 0.80 | BACE1 (0.60) | BACE1BACE2SMN1; SMN2KCNH2CTSD | |
| SCHEMBL17277723 | 0.79 | BACE1 (0.56) | BACE1BACE2KCNH2CTSD | |
| SCHEMBL28293050 | 0.79 | RAB9A (0.58) | BACE1SMN1; SMN2 | |
| SCHEMBL10193025 | 0.79 | BACE1 (0.53) | 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 |
|---|---|---|---|---|---|---|---|
| EP-3034080-A1 | IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | Merck Sharp & Dohme Corp. (US) | 2016-06-22 | — | — | EP | disclosed |