Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 4/20 | 0.45 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
| ▸ | POLA1 | P09884 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NR1H2 | P55055 | 4/20 | 0.41 |
| ▸ | NR1H3 | Q13133 | 4/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | SOD1 | P00441 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16499330 | 0.76 | POLA1 (0.38) | POLA1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL16499520 | 0.75 | SIGMAR1 (0.41) | SIGMAR1POLA1CYP3A4CYP2C9TSHR | |
| SCHEMBL12821475 | 0.74 | BACE1 (0.39) | SLC6A4TMEM97SIGMAR1NR1H2NR1H3 | |
| SCHEMBL12825605 | 0.74 | SLC6A4 (0.39) | SLC6A4TMEM97SIGMAR1CYP3A4CYP2C9 | |
| SCHEMBL16499261 | 0.74 | SLC6A4 (0.39) | SLC6A4TMEM97SIGMAR1CYP3A4CYP2C9 | |
| SCHEMBL16499376 | 0.73 | SLC6A4 (0.37) | SLC6A4TMEM97SIGMAR1CYP3A4CYP2C9 | |
| SCHEMBL12821627 | 0.73 | SLC6A4 (0.37) | SLC6A4TMEM97SIGMAR1CYP3A4CYP2C9 | |
| SCHEMBL12813386 | 0.72 | SIGMAR1 (0.44) | TMEM97SIGMAR1CYP3A4NR1H2NR1H3 | |
| SCHEMBL15978322 | 0.70 | POLA1 (0.76) | POLA1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL806957 | 0.70 | POLA1 (0.76) | POLA1CYP3A4CYP2C9TSHRCYP2C19 |
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-2012134971-A2 | OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE | BIKAM PHARMACEUTICALS, INC. (US) | 2012-10-04 | — | — | WO | disclosed |