Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 3/20 | 0.34 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA4 | P22748 | 2/20 | 0.34 |
| ▸ | CA5A | P35218 | 2/20 | 0.34 |
| ▸ | CA7 | P43166 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.34 |
| ▸ | CTSS | P25774 | 2/20 | 0.34 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | FPR2 | P25090 | 3/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.32 |
| ▸ | CTSL | P07711 | 1/20 | 0.31 |
| ▸ | PREP | P48147 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4465130 | 0.80 | CYP1A2 (0.45) | SMN1; SMN2CYP1A2GAACTSKCA12 | |
| SCHEMBL2553195 | 0.80 | ALDH1A1 (0.39) | SMN1; SMN2CYP1A2 | |
| SCHEMBL5332171 | 0.80 | ALDH1A1 (0.39) | SMN1; SMN2CYP1A2 | |
| SCHEMBL4327063 | 0.80 | ALDH1A1 (0.39) | SMN1; SMN2CYP1A2 | |
| SCHEMBL754867 | 0.80 | ALDH1A1 (0.39) | SMN1; SMN2CYP1A2 | |
| SCHEMBL17140651 | 0.75 | SMN1; SMN2 (0.44) | SMN1; SMN2CYP1A2GAACTSKCA12 | |
| SCHEMBL17140740 | 0.75 | SMN1; SMN2 (0.34) | SMN1; SMN2CYP1A2GAACTSKCA12 | |
| SCHEMBL17140956 | 0.73 | GAA (0.49) | SMN1; SMN2CYP1A2GAACTSKCTSS | |
| SCHEMBL755767 | 0.73 | SMN1; SMN2 (0.34) | SMN1; SMN2CYP1A2GAACA12CA1 | |
| SCHEMBL17140577 | 0.73 | MAPT (0.40) | SMN1; SMN2GAAEPHX2 |
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-2073635-A1 | MACROCYCLIC SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | Merck & Co., Inc. (US) | 2009-07-01 | — | — | EP | disclosed |
| WO-2008045250-A1 | MACROCYCLIC SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO., INC. (US) | 2008-04-17 | — | — | WO | disclosed |