Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.41 |
| ▸ | BACE1 | P56817 | 4/20 | 0.37 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.36 |
| ▸ | FYN | P06241 | 1/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL757208 | 1.00 | ADORA3 (0.41) | ADORA3ADORA2AADORA1BACE1BACE2 | |
| SCHEMBL760114 | 1.00 | ADORA3 (0.41) | ADORA3ADORA2AADORA1BACE1BACE2 | |
| SCHEMBL756431 | 1.00 | ADORA3 (0.41) | ADORA3ADORA2AADORA1BACE1BACE2 | |
| SCHEMBL4787016 | 1.00 | ADORA3 (0.41) | ADORA3ADORA2AADORA1BACE1BACE2 | |
| Hydrochloric Acid SCHEMBL592557 | 0.89 | ADORA3 (0.42) | ADORA3ADORA2AADORA1BACE1BACE2 | |
| SCHEMBL5616630 | 0.88 | BACE1 (0.34) | ADORA3ADORA2AADORA1BACE1BACE2 | |
| SCHEMBL757211 | 0.88 | BACE1 (0.34) | ADORA3ADORA2AADORA1BACE1BACE2 | |
| SCHEMBL759418 | 0.88 | BACE1 (0.34) | ADORA3ADORA2AADORA1BACE1BACE2 | |
| SCHEMBL14640805 | 0.88 | BACE1 (0.34) | ADORA3ADORA2AADORA1BACE1BACE2 | |
| SCHEMBL10214603 | 0.88 | BACE1 (0.34) | ADORA3ADORA2AADORA1BACE1BACE2 |
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-1910364-A2 | SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | Merck & Co., Inc. (US) | 2008-04-16 | — | — | EP | disclosed |
| WO-2007011833-A2 | SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO., INC. (US) | 2007-01-25 | — | — | WO | disclosed |