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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2D known ✓ | O15399 | 1/20 | 0.30 |
| ▸ | GRIN3B known ✓ | O60391 | 1/20 | 0.30 |
| ▸ | GRIN1 known ✓ | Q05586 | 1/20 | 0.30 |
| ▸ | GRIN2A known ✓ | Q12879 | 1/20 | 0.30 |
| ▸ | GRIN2B known ✓ | Q13224 | 1/20 | 0.30 |
| ▸ | GRIN2C known ✓ | Q14957 | 1/20 | 0.30 |
| ▸ | GRIN3A known ✓ | Q8TCU5 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.33 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.30 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | STAT6 | P42226 | 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 SCHEMBL7389647 | 1.00 | THRB (0.35) | THRBCYP2C9ALDH1A1ALOX15ITGB1 | |
| Amantadine SCHEMBL7396585 | 0.91 | THRB (0.37) | THRBCYP2C9ALDH1A1ALOX15ITGB1 | |
| Amantadine SCHEMBL7396579 | 0.91 | THRB (0.37) | THRBCYP2C9ALDH1A1ALOX15ITGB1 | |
| Amantadine SCHEMBL7401393 | 0.90 | THRB (0.33) | THRBCYP2C9ALDH1A1ALOX15ITGB1 | |
| Amantadine SCHEMBL7401389 | 0.90 | THRB (0.33) | THRBCYP2C9ALDH1A1ALOX15ITGB1 | |
| Amantadine SCHEMBL7398905 | 0.89 | THRB (0.34) | THRBCYP2C9ALDH1A1ALOX15 | |
| Amantadine SCHEMBL7398902 | 0.89 | THRB (0.34) | THRBCYP2C9ALDH1A1ALOX15 | |
| Amantadine SCHEMBL7395530 | 0.87 | THRB (0.35) | THRBCYP2C9ALDH1A1ALOX15ITGB1 | |
| Amantadine SCHEMBL7395533 | 0.87 | THRB (0.35) | THRBCYP2C9ALDH1A1ALOX15ITGB1 | |
| Amantadine SCHEMBL7395540 | 0.87 | THRB (0.35) | THRBCYP2C9ALDH1A1ALOX15ITGB1 |
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 |