Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.41 |
| ▸ | NAAA | Q02083 | 1/20 | 0.41 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 2/20 | 0.37 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL19513573 | 0.84 | NR1I2 (0.46) | ALDH1A1POLBMAPTSLC6A2NAAA | |
| SCHEMBL3443068 | 0.84 | NR1I2 (0.46) | ALDH1A1POLBMAPTSLC6A2NAAA | |
| SCHEMBL9227794 | 0.84 | NR1I2 (0.46) | ALDH1A1POLBMAPTSLC6A2NAAA | |
| SCHEMBL18559449 | 0.84 | NR1I2 (0.46) | ALDH1A1POLBMAPTSLC6A2NAAA | |
| SCHEMBL18635879 | 0.84 | NR1I2 (0.46) | ALDH1A1POLBMAPTSLC6A2NAAA | |
| SCHEMBL18559615 | 0.84 | NR1I2 (0.46) | ALDH1A1POLBMAPTSLC6A2NAAA | |
| SCHEMBL9227674 | 0.84 | NR1I2 (0.46) | ALDH1A1POLBMAPTSLC6A2NAAA | |
| SCHEMBL24919973 | 0.82 | MAPT (0.44) | ALDH1A1POLBMAPTSLC6A2NAAA | |
| SCHEMBL19223903 | 0.82 | MAPT (0.44) | ALDH1A1POLBMAPTSLC6A2NAAA | |
| SCHEMBL21416476 | 0.82 | MAPT (0.44) | ALDH1A1POLBMAPTSLC6A2NAAA |
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-2007094912-A2 | BIS-QUATERNARY AMMONIUM SALTS AND METHODS FOR MODULATING NEURONAL NICOTINIC ACETYLCHOLINE RECEPTORS | UNIVERSITY OF KENTUCKY (US) | 2007-08-23 | — | — | WO | disclosed |