Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.70 |
| ▸ | RAB9A | P51151 | 1/20 | 0.70 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.70 |
| ▸ | BACE1 | P56817 | 19/20 | 0.62 |
| ▸ | BACE2 | Q9Y5Z0 | 2/20 | 0.60 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.59 |
| ▸ | CTSD | P07339 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL15443905 | 0.90 | BACE1 (0.63) | NPC1RAB9ASMN1; SMN2BACE1BACE2 | |
| SCHEMBL17850172 | 0.90 | BACE1 (0.57) | NPC1RAB9ASMN1; SMN2BACE1BACE2 | |
| SCHEMBL19316428 | 0.89 | BACE1 (0.60) | NPC1RAB9ASMN1; SMN2BACE1BACE2 | |
| SCHEMBL17277723 | 0.88 | BACE1 (0.56) | BACE1BACE2KCNH2CTSD | |
| SCHEMBL13193804 | 0.87 | BACE1 (0.59) | BACE1BACE2KCNH2CTSD | |
| SCHEMBL15705154 | 0.86 | NPC1 (0.64) | NPC1RAB9ASMN1; SMN2BACE1BACE2 | |
| SCHEMBL17169010 | 0.85 | NPC1 (0.68) | NPC1RAB9ASMN1; SMN2BACE1BACE2 | |
| SCHEMBL17850187 | 0.83 | BACE1 (0.56) | SMN1; SMN2BACE1BACE2KCNH2CTSD | |
| SCHEMBL15994730 | 0.83 | NPC1 (0.64) | NPC1RAB9ASMN1; SMN2BACE1BACE2 | |
| SCHEMBL15443909 | 0.82 | BACE1 (0.57) | NPC1RAB9ASMN1; SMN2BACE1BACE2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017025565-A1 | 2-AMINO-7A-PHENYL-3,4,4A,5,7,7A-HEXAHYDROFURO[3,4-B]PYRIDINES AS BACE1 INHIBITORS | H. LUNDBECK A/S (DK) | 2017-02-16 | — | — | WO | disclosed |
| EP-2485736-B1 | IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME (US) | 2015-12-16 | — | — | EP | disclosed |