Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 10/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.37 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.33 |
| ▸ | CCR6 | P51684 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.32 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12821627 | 1.00 | SLC6A4 (0.37) | SLC6A4SLC6A3TMEM97SIGMAR1TRPA1 | |
| SCHEMBL12813268 | 0.85 | CYP3A4 (0.44) | SLC6A3SIGMAR1CYP2C9TSHRCYP2C19 | |
| SCHEMBL12821791 | 0.81 | CYP11B1 (0.35) | SLC6A4SLC6A3TMEM97SIGMAR1TRPA1 | |
| SCHEMBL16499567 | 0.79 | TRPA1 (0.39) | TMEM97SIGMAR1TRPA1 | |
| SCHEMBL16499264 | 0.78 | TRPA1 (0.35) | TRPA1CYP3A4 | |
| SCHEMBL12825623 | 0.78 | TRPA1 (0.35) | TRPA1CYP3A4 | |
| SCHEMBL12813322 | 0.77 | CYP19A1 (0.36) | SLC6A4SLC6A3TRPA1 | |
| SCHEMBL12813600 | 0.77 | CYP19A1 (0.36) | SLC6A4SLC6A3TRPA1 | |
| SCHEMBL16499261 | 0.77 | SLC6A4 (0.39) | SLC6A4SLC6A3TMEM97SIGMAR1TRPA1 | |
| SCHEMBL12825605 | 0.77 | SLC6A4 (0.39) | SLC6A4SLC6A3TMEM97SIGMAR1TRPA1 |
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-2011155983-A1 | OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE | BIKAM PHARMACEUTICALS INC. (US) | 2011-12-15 | — | — | WO | disclosed |