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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | MME | P08473 | 2/20 | 0.31 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.30 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.30 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | GLA | P06280 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 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 SCHEMBL9298521 | 1.00 | HSD11B1 (0.34) | HSD11B1ALDH1A1MEN1KMT2AMME | |
| Amantadine SCHEMBL7394662 | 0.88 | MTNR1A (0.34) | ALDH1A1KMT2AKDM4E | |
| Amantadine SCHEMBL7398747 | 0.88 | MTNR1A (0.34) | ALDH1A1KMT2AKDM4E | |
| Amantadine SCHEMBL7394660 | 0.88 | MTNR1A (0.34) | ALDH1A1KMT2AKDM4E | |
| SCHEMBL7393328 | 0.87 | MME (0.39) | ALDH1A1MMESLC1A3SLC1A2SLC1A1 | |
| SCHEMBL9240332 | 0.87 | MME (0.39) | ALDH1A1MMESLC1A3SLC1A2SLC1A1 | |
| Amantadine SCHEMBL7396700 | 0.84 | PTGER1 (0.36) | HSD11B1ALDH1A1KMT2A | |
| Amantadine SCHEMBL7396703 | 0.84 | PTGER1 (0.36) | HSD11B1ALDH1A1KMT2A | |
| SCHEMBL7399507 | 0.83 | HSD11B1 (0.35) | HSD11B1ALDH1A1MEN1KMT2AMME | |
| Amantadine SCHEMBL7389647 | 0.81 | THRB (0.35) | ALDH1A1SMN1; SMN2 |
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 |