Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 4/20 | 0.57 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | MC4R | P32245 | 6/20 | 0.38 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.36 |
| ▸ | USP19 | O94966 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | PRCP | P42785 | 1/20 | 0.35 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | MC3R | P41968 | 1/20 | 0.34 |
| ▸ | MC1R | Q01726 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3736070 | 0.81 | BACE1 (0.81) | BACE1TMEM97SIGMAR1MAPK1SCD5 | |
| SCHEMBL3736938 | 0.76 | BACE1 (0.79) | BACE1MAPK1MC4RSCD5USP19 | |
| SCHEMBL4230395 | 0.76 | BACE1 (0.79) | BACE1TMEM97SIGMAR1MAPK1MC4R | |
| SCHEMBL3734063 | 0.76 | BACE1 (0.79) | BACE1TMEM97SIGMAR1MAPK1SCD5 | |
| SCHEMBL3735123 | 0.76 | BACE1 (0.75) | BACE1TMEM97SIGMAR1MAPK1MC4R | |
| SCHEMBL15988501 | 0.76 | BACE1 (0.78) | BACE1MAPK1SCD5USP19 | |
| SCHEMBL3735146 | 0.76 | BACE1 (0.81) | BACE1MAPK1MC4RSCD5USP19 | |
| SCHEMBL3735144 | 0.76 | BACE1 (0.81) | BACE1MAPK1MC4RSCD5USP19 | |
| SCHEMBL3729056 | 0.75 | BACE1 (0.74) | BACE1MAPK1SCD5USP19 | |
| SCHEMBL3736398 | 0.74 | BACE1 (0.75) | BACE1TMEM97SIGMAR1MAPK1SCD5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2231558-A1 | 3,4-SUBSTITUTED PYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | Merck Sharp & Dohme Corp. (US) | 2010-09-29 | — | — | EP | claimed |
| WO-2009078932-A1 | 3,4-SUBSTITUTED PYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO., INC. (US) | 2009-06-25 | — | — | WO | claimed |