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 | 9/20 | 0.95 |
| ▸ | GAA | P10253 | 4/20 | 0.95 |
| ▸ | GLB1 | P16278 | 2/20 | 0.95 |
| ▸ | PYGL | P06737 | 2/20 | 0.95 |
| ▸ | GBA2 | Q9HCG7 | 1/20 | 0.95 |
| ▸ | FUCA1 | P04066 | 2/20 | 0.55 |
| ▸ | GLA | P06280 | 2/20 | 0.55 |
| ▸ | MAN1B1 | Q9UKM7 | 1/20 | 0.46 |
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 SCHEMBL9091205 | 1.00 | GBA1 (0.95) | GBA1GAAGLB1PYGLGBA2 | |
| Afegostat SCHEMBL2435882 | 0.98 | GBA1 (1.00) | GBA1GAAGLB1PYGLGBA2 | |
| Afegostat SCHEMBL21575618 | 0.98 | GBA1 (1.00) | GBA1GAAGLB1PYGLGBA2 | |
| Afegostat SCHEMBL2357291 | 0.98 | GBA1 (1.00) | GBA1GAAGLB1PYGLGBA2 | |
| Afegostat SCHEMBL2714841 | 0.98 | GBA1 (1.00) | GBA1GAAGLB1PYGLGBA2 | |
| Afegostat SCHEMBL24514726 | 0.98 | GBA1 (1.00) | GBA1GAAGLB1PYGLGBA2 | |
| Afegostat SCHEMBL581577 | 0.98 | GBA1 (1.00) | GBA1GAAGLB1PYGLGBA2 | |
| Afegostat SCHEMBL12232220 | 0.98 | GBA1 (1.00) | GBA1GAAGLB1PYGLGBA2 | |
| Afegostat SCHEMBL3062308 | 0.98 | GBA1 (1.00) | GBA1GAAGLB1PYGLGBA2 | |
| Afegostat SCHEMBL2435705 | 0.98 | GBA1 (1.00) | 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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230381287-A1 | FORMULATIONS COMPRISING GLUCOCEREBROSIDASE AND ISOFAGOMINE | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2023-11-30 | — | — | US | disclosed |
| US-20230022724-A1 | NOVEL IMIDAZOPYRAZINE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2023-01-26 | — | — | US | disclosed |
| US-20230013602-A1 | NOVEL IMIDAZOPYRAZINE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2023-01-19 | — | — | US | disclosed |
| US-20230017532-A1 | NOVEL IMIDAZOPYRAZINE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2023-01-19 | — | — | US | disclosed |
| US-20230011869-A1 | NOVEL IMIDAZOPYRAZINE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2023-01-12 | — | — | US | disclosed |
| US-20230012368-A1 | NOVEL IMIDAZOPYRAZINE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2023-01-12 | — | — | US | disclosed |
| EP-0749423-B1 | PIPERIDINES AND PYRROLIDINES | NOVO NORDISK AS (DK) | 2003-06-18 | — | — | EP | disclosed |
| US-5863903-A | ANTIDIABETIC AGENT | NOVO NORDISK A/S (DK) | 1999-01-26 | — | — | US | disclosed |
| US-5844102-A | Glycohydrolase inhibitors, their preparation and use thereof | UNIVERSITY OF MARYLAND BALTIMORE COUNTY (US) | 1998-12-01 | — | — | US | disclosed |
| WO-1995024391-A1 | PIPERIDINES AND PYRROLIDINES | NOVO NORDISK A/S (DK) | 1995-09-14 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20230022724-A1 | NOVEL IMIDAZOPYRAZINE DERIVATIVES | MRPL21, O60361, MYD88 | GBA1 173/4885GAA 1186/4885GLB1 1070/4885 |
| US-20230011869-A1 | NOVEL IMIDAZOPYRAZINE DERIVATIVES | MRPL21, O60361, MYD88 | GBA1 173/4885GAA 1186/4885GLB1 1070/4885 |
| US-20230381287-A1 | FORMULATIONS COMPRISING GLUCOCEREBROSIDASE AND ISOFAGOMINE | GAA, GBA1, GALC | GBA1 2/4885GAA 1/4885GLB1 44/4885 |
| US-20230017532-A1 | NOVEL IMIDAZOPYRAZINE DERIVATIVES | MRPL21, O60361, MYD88 | GBA1 185/4885GAA 1269/4885GLB1 1123/4885 |
| US-20230013602-A1 | NOVEL IMIDAZOPYRAZINE DERIVATIVES | IL4, RPS4Y1, RPS4X | GBA1 314/4885GAA 1126/4885GLB1 1580/4885 |
| US-20230012368-A1 | NOVEL IMIDAZOPYRAZINE DERIVATIVES | MRPL21, MYD88, IL1R1 | GBA1 181/4885GAA 1417/4885GLB1 1225/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.