Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 12/20 | 0.66 |
| ▸ | SLC6A4 | P31645 | 12/20 | 0.66 |
| ▸ | SLC6A3 | Q01959 | 11/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3312060 | 0.83 | SLC6A2 (0.54) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL3312055 | 0.83 | SLC6A2 (0.54) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL31738114 | 0.81 | SLC6A2 (0.52) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL31737151 | 0.81 | SLC6A2 (0.52) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL5608695 | 0.81 | SLC6A2 (0.55) | SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4 | |
| SCHEMBL4309799 | 0.81 | SLC6A2 (0.63) | SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4 | |
| SCHEMBL312922 | 0.80 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL10891206 | 0.80 | G6PC1 (0.50) | SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4 | |
| SCHEMBL27873423 | 0.80 | SLC6A2 (0.54) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL28160188 | 0.80 | SLC6A2 (0.58) | SLC6A2SLC6A4SLC6A3NOS2 |
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-2001092226-A1 | HETEROCYCLIC ANALGESIC COMPOUNDS AND METHOD OF USE THEREOF | SEPRACOR, INC. (US) | 2001-12-06 | — | — | WO | disclosed |