Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Centanafadine. 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 | 10/20 | 0.97 |
| ▸ | SLC6A4 known ✓ | P31645 | 10/20 | 0.97 |
| ▸ | SLC6A3 known ✓ | Q01959 | 10/20 | 0.97 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.68 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.68 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.68 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.68 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.68 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.59 |
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 | |
|---|---|---|---|---|
| Centanafadine SCHEMBL29515477 | 1.00 | SLC6A2 (0.97) | SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4 | |
| Centanafadine SCHEMBL4176916 | 1.00 | SLC6A2 (0.97) | SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4 | |
| Centanafadine SCHEMBL4190214 | 1.00 | SLC6A2 (0.97) | SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4 | |
| Centanafadine SCHEMBL4190103 | 1.00 | SLC6A2 (0.97) | SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4 | |
| Centanafadine SCHEMBL4194713 | 0.98 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4 | |
| Centanafadine SCHEMBL13698169 | 0.98 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4 | |
| Centanafadine SCHEMBL17911611 | 0.98 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4 | |
| Centanafadine SCHEMBL4177088 | 0.98 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4 | |
| Centanafadine SCHEMBL16213933 | 0.98 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4 | |
| Centanafadine SCHEMBL4187417 | 0.98 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117466800-A | Crystalline compounds | 大塚制药美国公司 | 2024-01-30 | — | — | CN | disclosed |
| CN-117088802-A | Crystalline compounds | 大塚制药美国公司 | 2023-11-21 | — | — | CN | disclosed |