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 | |
|---|---|---|---|---|
| ▸ | PTGER1 | P34995 | 1/20 | 0.36 |
| ▸ | PTGFR | P43088 | 1/20 | 0.36 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.36 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 6/20 | 0.33 |
| ▸ | MMP1 | P03956 | 5/20 | 0.33 |
| ▸ | FCER2 | P06734 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.31 |
| ▸ | MMP2 | P08253 | 3/20 | 0.31 |
| ▸ | MMP3 | P08254 | 2/20 | 0.31 |
| ▸ | MMP7 | P09237 | 2/20 | 0.31 |
| ▸ | MMP9 | P14780 | 2/20 | 0.31 |
| ▸ | MMP8 | P22894 | 2/20 | 0.31 |
| ▸ | MMP13 | P45452 | 2/20 | 0.31 |
| ▸ | MMP14 | P50281 | 2/20 | 0.31 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
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 SCHEMBL7396700 | 1.00 | PTGER1 (0.36) | PTGER1PTGFRPTGER3PTGER2HSD11B1 | |
| SCHEMBL7398653 | 0.87 | MMP1 (0.40) | PTGER1PTGFRPTGER3PTGER2MMP1 | |
| SCHEMBL7398652 | 0.87 | MMP1 (0.40) | PTGER1PTGFRPTGER3PTGER2MMP1 | |
| Amantadine SCHEMBL7398747 | 0.86 | MTNR1A (0.34) | PTGER1PTGFRALDH1A1CYP17A1CYP19A1 | |
| Amantadine SCHEMBL7394662 | 0.86 | MTNR1A (0.34) | PTGER1PTGFRALDH1A1CYP17A1CYP19A1 | |
| Amantadine SCHEMBL7394660 | 0.86 | MTNR1A (0.34) | PTGER1PTGFRALDH1A1CYP17A1CYP19A1 | |
| Amantadine SCHEMBL7399508 | 0.84 | HSD11B1 (0.34) | HSD11B1ALDH1A1KMT2A | |
| Amantadine SCHEMBL9298521 | 0.84 | HSD11B1 (0.34) | HSD11B1ALDH1A1KMT2A | |
| SCHEMBL7396702 | 0.82 | ALDH1A1 (0.38) | PTGER1PTGFRPTGER3PTGER2HSD11B1 | |
| Amantadine SCHEMBL7389647 | 0.82 | THRB (0.35) | ALDH1A1ALOX15 |
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 |