Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | EBP | Q15125 | 2/20 | 0.43 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 2/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.40 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL19904479 | 0.99 | HRH3 (0.45) | ABCB1HRH3SIGMAR1SLC6A4SLC6A3 | |
| SCHEMBL19904510 | 0.96 | ABCB1 (0.43) | ABCB1HRH3SIGMAR1SLC6A4SLC6A3 | |
| SCHEMBL19904585 | 0.89 | SIGMAR1 (0.40) | ABCB1HRH3SIGMAR1SLC6A4SLC6A3 | |
| SCHEMBL7999028 | 0.86 | L3MBTL1 (0.51) | HRH3SIGMAR1SLC6A4SLC6A3DRD2 | |
| SCHEMBL24045454 | 0.85 | HRH1 (0.47) | ABCB1HRH3SIGMAR1SLC6A4SLC6A3 | |
| SCHEMBL19043653 | 0.84 | SIGMAR1 (0.55) | ABCB1HRH3SIGMAR1EBPTMEM97 | |
| SCHEMBL21122862 | 0.82 | ABCB1 (0.46) | ABCB1HRH3SIGMAR1SLC6A4SLC6A3 | |
| SCHEMBL16595882 | 0.82 | SLC6A4 (0.51) | ABCB1HRH3SIGMAR1SLC6A4SLC6A3 | |
| SCHEMBL16595899 | 0.82 | CSNK2A1 (0.53) | HRH3SIGMAR1SLC6A4SLC6A3DRD2 | |
| SCHEMBL16695116 | 0.81 | CSNK2A1 (0.52) | HRH3SIGMAR1SLC6A4SLC6A3DRD2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3063141-B1 | N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS | BIOMARIN PHARM INC (US) | 2018-02-28 | — | — | EP | disclosed |