Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 2/20 | 0.31 |
| ▸ | BACE1 | P56817 | 2/20 | 0.31 |
| ▸ | BACE2 | Q9Y5Z0 | 2/20 | 0.31 |
| ▸ | SQLE | Q14534 | 1/20 | 0.30 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4566500 | 0.89 | RORC (0.31) | SQLE | |
| SCHEMBL2408355 | 0.84 | GLS (0.33) | CTSDBACE1BACE2SQLE | |
| SCHEMBL5008212 | 0.81 | CTSD (0.34) | CTSDBACE1BACE2 | |
| SCHEMBL2408357 | 0.79 | CTSD (0.32) | CTSDBACE1BACE2 | |
| SCHEMBL1580306 | 0.79 | BACE1 (0.37) | CTSDBACE1BACE2 | |
| SCHEMBL2408353 | 0.78 | SLC1A3 (0.32) | CTSDBACE1BACE2 | |
| SCHEMBL5008218 | 0.77 | IDE (0.37) | CTSDBACE1BACE2RXFP1 | |
| Fumaric Acid SCHEMBL2410502 | 0.77 | CTSD (0.34) | CTSDBACE1BACE2 | |
| Fumaric Acid SCHEMBL2410506 | 0.77 | CTSD (0.34) | CTSDBACE1BACE2 | |
| SCHEMBL4566702 | 0.75 | ALDH1A1 (0.35) | — |
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-2114917-A2 | PYRROLE COMPOUNDS | Takeda Pharmaceutical Company Limited (JP) | 2009-11-11 | — | — | EP | disclosed |
| WO-2008108380-A2 | PYRROLE COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-09-12 | — | — | WO | disclosed |