Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Afegostat. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 known ✓ | P04062 | 10/20 | 1.00 |
| ▸ | GAA | P10253 | 2/20 | 1.00 |
| ▸ | GLB1 | P16278 | 2/20 | 1.00 |
| ▸ | PYGL | P06737 | 1/20 | 1.00 |
| ▸ | GBA2 | Q9HCG7 | 1/20 | 1.00 |
| ▸ | FUCA1 | P04066 | 4/20 | 0.57 |
| ▸ | GLA | P06280 | 2/20 | 0.57 |
| ▸ | MAN1B1 | Q9UKM7 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Afegostat SCHEMBL581577 | 1.00 | GBA1 (1.00) | GBA1GAAGLB1PYGLGBA2 | |
| Afegostat SCHEMBL13342969 | 1.00 | GBA1 (1.00) | GBA1GAAGLB1PYGLGBA2 | |
| Afegostat SCHEMBL2435882 | 1.00 | GBA1 (1.00) | GBA1GAAGLB1PYGLGBA2 | |
| Afegostat SCHEMBL2435705 | 1.00 | GBA1 (1.00) | GBA1GAAGLB1PYGLGBA2 | |
| Afegostat SCHEMBL3062308 | 1.00 | GBA1 (1.00) | GBA1GAAGLB1PYGLGBA2 | |
| Afegostat SCHEMBL24514726 | 1.00 | GBA1 (1.00) | GBA1GAAGLB1PYGLGBA2 | |
| Afegostat SCHEMBL12232220 | 1.00 | GBA1 (1.00) | GBA1GAAGLB1PYGLGBA2 | |
| Afegostat SCHEMBL2714841 | 1.00 | GBA1 (1.00) | GBA1GAAGLB1PYGLGBA2 | |
| Afegostat SCHEMBL21575618 | 1.00 | GBA1 (1.00) | GBA1GAAGLB1PYGLGBA2 | |
| Afegostat SCHEMBL7069734 | 0.98 | GBA1 (0.95) | GBA1GAAGLB1PYGLGBA2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110251068-A1 | PARASITIC PLANT CONTROL AGENT AND PARASITIC PLANT CONTROL METHOD | OSAKA UNIVERSITY (JP) | 2011-10-13 | — | — | US | claimed |
| EP-2351484-A1 | PARASITIC PLANT CONTROL AGENT AND PARASITIC PLANT CONTROL METHOD | Osaka University (JP) | 2011-08-03 | — | — | EP | claimed |
| US-20110251068-A1 | PARASITIC PLANT CONTROL AGENT AND PARASITIC PLANT CONTROL METHOD | OSAKA UNIVERSITY (JP) | 2011-10-13 | — | — | US | disclosed |
| EP-2351484-A1 | PARASITIC PLANT CONTROL AGENT AND PARASITIC PLANT CONTROL METHOD | Osaka University (JP) | 2011-08-03 | — | — | EP | disclosed |