Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.52 |
| ▸ | UTS2R | Q9UKP6 | 5/20 | 0.41 |
| ▸ | HTR2A | P28223 | 2/20 | 0.38 |
| ▸ | HRH1 | P35367 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 7/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | MLNR | O43193 | 1/20 | 0.37 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | KCNE1 | P15382 | 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 | |
|---|---|---|---|---|
| SCHEMBL3898505 | 0.83 | CACNA2D1 (0.47) | CACNA2D1UTS2RALOX5LMNATP53 | |
| SCHEMBL3898507 | 0.83 | CACNA2D1 (0.47) | CACNA2D1UTS2RALOX5LMNATP53 | |
| SCHEMBL5914999 | 0.80 | CACNA2D1 (0.45) | CACNA2D1UTS2RALOX5LMNATP53 | |
| SCHEMBL5915082 | 0.80 | CACNA2D1 (0.45) | CACNA2D1UTS2RALOX5LMNATP53 | |
| SCHEMBL522925 | 0.79 | NPC1 (0.48) | CACNA2D1HTR2AHRH1SLC6A4SLC6A2 | |
| SCHEMBL4156 | 0.79 | NPC1 (0.48) | CACNA2D1HTR2AHRH1SLC6A4SLC6A2 | |
| SCHEMBL2834497 | 0.79 | CFD (0.43) | CACNA2D1HTR2AHRH1SLC6A4SLC6A2 | |
| SCHEMBL1200623 | 0.79 | NPC1 (0.48) | CACNA2D1HTR2AHRH1SLC6A4SLC6A2 | |
| SCHEMBL27831788 | 0.79 | CFD (0.43) | CACNA2D1HTR2AHRH1SLC6A4SLC6A2 | |
| SCHEMBL5915056 | 0.79 | CACNA2D1 (0.44) | CACNA2D1UTS2RGAAALOX5LMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-109535123-A | A kind of preparation method of (S) -3- methylamino -1- (2- thienyl) -1- propyl alcohol | 凯瑞斯德生化(苏州)有限公司 | 2019-03-29 | — | — | CN | disclosed |