Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL2577670 | 0.78 | SLC6A3 (0.65) | SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL2577794 | 0.77 | SLC6A3 (0.62) | SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2577789 | 0.75 | SLC6A3 (0.61) | SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1121660 | 0.75 | SLC6A3 (0.66) | SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1537233 | 0.75 | SLC6A3 (0.61) | SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL17504057 | 0.75 | SLC6A3 (0.52) | SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7963041 | 0.75 | SLC6A3 (0.56) | SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5266643 | 0.74 | SLC6A3 (0.59) | SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL18761316 | 0.72 | HTR2A (0.43) | SLC6A3 | |
| SCHEMBL21471646 | 0.72 | SLC6A3 (0.49) | SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9 |
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-2008031227-A1 | DIARYL PIPERIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS | NEUROMED PHARMACEUTICALS LTD. (CA) | 2008-03-20 | — | — | WO | disclosed |