Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALM1 | P0DP23 | 3/20 | 0.60 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | INSR | P06213 | 2/20 | 0.48 |
| ▸ | IGF1R | P08069 | 2/20 | 0.48 |
| ▸ | SRC | P12931 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL13528872 | 0.83 | CALM1 (0.68) | CALM1TAAR1CYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL108087 | 0.82 | TAAR1 (0.77) | CALM1TAAR1CYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL29644736 | 0.79 | TAAR1 (0.67) | CALM1TAAR1CYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL834910 | 0.79 | TAAR1 (0.67) | CALM1TAAR1CYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL49914 | 0.79 | CYP3A4 (0.65) | CALM1TAAR1CYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL29907219 | 0.79 | CYP3A4 (0.65) | CALM1TAAR1CYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL2873266 | 0.79 | CYP3A4 (0.65) | CALM1TAAR1CYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL29874620 | 0.77 | CALM1 (0.69) | CALM1TAAR1CYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL21154364 | 0.77 | CALM1 (0.65) | CALM1TAAR1CYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL1850543 | 0.77 | CALM1 (0.69) | CALM1TAAR1CYP3A4CYP2D6ALDH1A1 |
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-2010050445-A1 | BICYCLIC COMPOUND | 武田薬品工業株式会社 (JP) | 2010-05-06 | — | — | WO | disclosed |