Known targets — ChEMBL curated mechanism
GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BM
The experimentally established mechanism targets of Amantadine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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 | |
|---|---|---|---|---|
| Amantadine SCHEMBL7429362 | 1.00 | — | — | |
| Amantadine SCHEMBL7437943 | 0.81 | EPHX2 (0.39) | — | |
| Amantadine SCHEMBL7435617 | 0.81 | — | — | |
| Amantadine SCHEMBL7435612 | 0.81 | — | — | |
| Amantadine SCHEMBL7430117 | 0.79 | EPHX2 (0.41) | — | |
| Amantadine SCHEMBL7443171 | 0.78 | — | — | |
| Amantadine SCHEMBL7440250 | 0.78 | — | — | |
| Amantadine SCHEMBL7443176 | 0.78 | — | — | |
| Amantadine SCHEMBL7440237 | 0.78 | — | — | |
| SCHEMBL7437954 | 0.78 | EPHX2 (0.39) | — |
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-0384636-A1 | Pharmaceutically active compounds | FISONS plc (GB) | 1990-08-29 | — | — | EP | claimed |
| EP-0384636-A1 | Pharmaceutically active compounds | FISONS plc (GB) | 1990-08-29 | — | — | EP | disclosed |