Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 16/20 | 0.74 |
| ▸ | SLC6A4 | P31645 | 16/20 | 0.74 |
| ▸ | SLC6A3 | Q01959 | 16/20 | 0.74 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.74 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.74 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.74 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.74 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.74 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.74 |
| ▸ | CYP1A1 | P04798 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL904292 | 1.00 | SLC6A2 (0.74) | SLC6A2SLC6A4SLC6A3CYP1A2CYP2D6 | |
| SCHEMBL904193 | 1.00 | SLC6A2 (0.74) | SLC6A2SLC6A4SLC6A3CYP1A2CYP2D6 | |
| SCHEMBL904280 | 1.00 | SLC6A2 (0.74) | SLC6A2SLC6A4SLC6A3CYP1A2CYP2D6 | |
| SCHEMBL904247 | 1.00 | SLC6A2 (0.74) | SLC6A2SLC6A4SLC6A3CYP1A2CYP2D6 | |
| SCHEMBL904302 | 0.86 | SLC6A2 (0.74) | SLC6A2SLC6A4SLC6A3CYP1A2CYP2D6 | |
| SCHEMBL904164 | 0.86 | SLC6A2 (0.74) | SLC6A2SLC6A4SLC6A3CYP1A2CYP2D6 | |
| Amitifadine SCHEMBL378061 | 0.85 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3CYP1A2CYP2D6 | |
| Amitifadine SCHEMBL12313135 | 0.85 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3CYP1A2CYP2D6 | |
| Amitifadine SCHEMBL9604846 | 0.85 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3CYP1A2CYP2D6 | |
| Amitifadine SCHEMBL8213058 | 0.85 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3CYP1A2CYP2D6 |
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-2012041124-A1 | AZABICYCLO OCTANE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF | 上海恒瑞医药有限公司 (CN) | 2012-04-05 | — | — | WO | disclosed |