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.
Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| Amantadine SCHEMBL7398905 | 1.00 | THRB (0.34) | THRBCYP2C9ALDH1A1ALOX15 | |
| Amantadine SCHEMBL7395243 | 0.90 | ALDH1A1 (0.40) | THRBCYP2C9ALDH1A1ALOX15 | |
| Amantadine SCHEMBL7395239 | 0.90 | ALDH1A1 (0.40) | THRBCYP2C9ALDH1A1ALOX15 | |
| Amantadine SCHEMBL7389647 | 0.89 | THRB (0.35) | THRBCYP2C9ALDH1A1ALOX15 | |
| Amantadine SCHEMBL7389642 | 0.89 | THRB (0.35) | THRBCYP2C9ALDH1A1ALOX15 | |
| SCHEMBL7397201 | 0.84 | FOLH1 (0.33) | — | |
| SCHEMBL7397199 | 0.84 | FOLH1 (0.33) | — | |
| Amantadine SCHEMBL7396585 | 0.84 | THRB (0.37) | THRBCYP2C9ALDH1A1ALOX15 | |
| Amantadine SCHEMBL7396579 | 0.84 | THRB (0.37) | THRBCYP2C9ALDH1A1ALOX15 | |
| Amantadine SCHEMBL7435558 | 0.82 | THRB (0.38) | THRBCYP2C9ALDH1A1ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0535042-B1 | ANGIOTENSIS CONVERTING ENZYME INHIBITORS | FISONS PLC (GB) | 1995-03-29 | — | — | EP | disclosed |
| US-5348978-A | Angiotensin converting enzyme inhibitors | FISONS PLC (GB) | 1994-09-20 | — | — | US | disclosed |
| EP-0535042-A1 | ANGIOTENSIS CONVERTING ENZYME INHIBITORS. | FISONS PLC (GB) | 1993-04-07 | — | — | EP | disclosed |
| WO-1992000276-A2 | ANGIOTENSIS CONVERTING ENZYME INHIBITORS | FISONS PLC (GB) | 1992-01-09 | — | — | WO | disclosed |