Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.32 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.31 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.31 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.31 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | PGD | P52209 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | HMGCR | P04035 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13588557 | 0.80 | SLC22A6 (0.39) | SLC22A6CACNA2D1ADRA1ACACNB3CACNA1C | |
| SCHEMBL5509970 | 0.80 | SLC22A6 (0.39) | SLC22A6CACNA2D1ADRA1ACACNB3CACNA1C | |
| SCHEMBL544795 | 0.72 | GABRR1 (0.33) | SLC22A6CACNA2D1ADRA1ACACNB3CACNA1C | |
| SCHEMBL26754075 | 0.71 | SLC22A6 (0.36) | SLC22A6CACNA2D1ADRA1ACACNB3CACNA1C | |
| SCHEMBL26754076 | 0.71 | SLC22A6 (0.36) | SLC22A6CACNA2D1ADRA1ACACNB3CACNA1C | |
| SCHEMBL5509859 | 0.71 | SLC22A6 (0.36) | SLC22A6CACNA2D1ADRA1ACACNB3CACNA1C | |
| SCHEMBL8466473 | 0.71 | PGD (0.34) | SLC22A6ADRA1ATDP1PGDSMN1; SMN2 | |
| SCHEMBL8466471 | 0.71 | PGD (0.34) | SLC22A6ADRA1ATDP1PGDSMN1; SMN2 | |
| SCHEMBL14233251 | 0.70 | SLC7A5 (0.32) | — | |
| SCHEMBL8466475 | 0.69 | PGD (0.33) | SLC22A6TDP1PGD |
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 |
|---|---|---|---|---|---|---|---|
| US-6177591-B1 | REACTING AN OPTICALLY ACTIVE 1-PHENYLETHYLAMINE WITH A RACEMIC DIHYDROCARBYLCARBOXYALKYLENE PHOSPHINE OXIDE; SEPARATING THE DIASTERIOMERIC SALTS USING THE DIFFERENCE IN SOLUBILITY IN A SOLVENT; DECOMPOSING THE SALT WITH AN ACID | NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) | 2001-01-23 | — | — | US | disclosed |