Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Amitifadine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 15/20 | 1.00 |
| ▸ | SLC6A4 known ✓ | P31645 | 15/20 | 1.00 |
| ▸ | SLC6A3 known ✓ | Q01959 | 15/20 | 1.00 |
| ▸ | KCNH2 | Q12809 | 6/20 | 1.00 |
| ▸ | CYP1A2 | P05177 | 5/20 | 1.00 |
| ▸ | CYP2D6 | P10635 | 5/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 4/20 | 1.00 |
| ▸ | CYP2C19 | P33261 | 3/20 | 1.00 |
| ▸ | CYP2C9 | P11712 | 2/20 | 1.00 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.68 |
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 | |
|---|---|---|---|---|
| Amitifadine SCHEMBL79279 | 1.00 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3KCNH2CYP1A2 | |
| Amitifadine SCHEMBL30231901 | 1.00 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3KCNH2CYP1A2 | |
| Amitifadine SCHEMBL378242 | 1.00 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3KCNH2CYP1A2 | |
| Amitifadine SCHEMBL2855350 | 1.00 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3KCNH2CYP1A2 | |
| Amitifadine SCHEMBL378061 | 1.00 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3KCNH2CYP1A2 | |
| Amitifadine SCHEMBL8213058 | 1.00 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3KCNH2CYP1A2 | |
| Amitifadine SCHEMBL12313135 | 1.00 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3KCNH2CYP1A2 | |
| Amitifadine SCHEMBL9604846 | 1.00 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3KCNH2CYP1A2 | |
| Amitifadine SCHEMBL29393526 | 1.00 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3KCNH2CYP1A2 | |
| Amitifadine SCHEMBL4552778 | 0.98 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3KCNH2CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1869018-B1 | 3-TRIAZOLYLTHIOALKYL-3-AZABICYCLO (3 - 1 - O) HEXANES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS | GLAXO GROUP LTD (GB) | 2010-01-13 | — | — | EP | disclosed |