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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTB4R2 | Q9NPC1 | 7/20 | 0.40 |
| ▸ | PPARG | P37231 | 2/20 | 0.37 |
| ▸ | PPARA | Q07869 | 2/20 | 0.37 |
| ▸ | PPARD | Q03181 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
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 SCHEMBL5309511 | 0.93 | LTB4R2 (0.39) | LTB4R2PPARGPPARAPPARD | |
| SCHEMBL4630483 | 0.91 | LTB4R2 (0.47) | LTB4R2PPARGPPARAPPARD | |
| Amantadine SCHEMBL5311991 | 0.88 | LTB4R2 (0.41) | LTB4R2PPARGPPARA | |
| Amantadine SCHEMBL5311304 | 0.88 | PPARG (0.39) | LTB4R2PPARGPPARA | |
| Amantadine SCHEMBL5312024 | 0.83 | HTR2A (0.39) | LTB4R2PPARA | |
| SCHEMBL4630699 | 0.83 | LTB4R2 (0.46) | LTB4R2PPARGPPARAPPARD | |
| SCHEMBL4629875 | 0.83 | PPARG (0.41) | LTB4R2PPARGPPARAPPARD | |
| Amantadine SCHEMBL5314989 | 0.81 | HTR2A (0.45) | LTB4R2PPARGPPARA | |
| SCHEMBL5308603 | 0.78 | LTB4R2 (0.40) | LTB4R2PPARGPPARAPPARD | |
| SCHEMBL4630408 | 0.78 | LTB4R2 (0.48) | LTB4R2PPARGPPARA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007051995-A2 | TERT-BUTYLAMMONIUM SALT OR ADAMNTYLAMMONIUM SALT OF ORTHO-SUBSTITUTED BENZOIC ACID DERIVATIVES | ASTRAZENECA AB (SE) | 2007-05-10 | — | — | WO | disclosed |