Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | S1PR2 | O95136 | 3/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.39 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.39 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | HTR1D | P28221 | 1/20 | 0.37 |
| ▸ | HTR1B | P28222 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | HTR5A | P47898 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | MPO | P05164 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 3/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19904400 | 0.92 | PDE4D (0.45) | MEN1GAAKMT2A | |
| SCHEMBL19904670 | 0.81 | BACE1 (0.42) | — | |
| SCHEMBL19904683 | 0.81 | SIGMAR1 (0.38) | MEN1GAAKMT2AS1PR2S1PR1 | |
| SCHEMBL19904397 | 0.78 | DDB1 (0.45) | S1PR2S1PR1S1PR3S1PR4 | |
| SCHEMBL19904416 | 0.76 | ABCB1 (0.44) | HRH1KCNH2 | |
| SCHEMBL19904479 | 0.75 | HRH3 (0.45) | HTR7HRH1KCNH2 | |
| SCHEMBL9845132 | 0.74 | SIGMAR1 (0.49) | MEN1KMT2AHTR1AHTR1DHTR1B | |
| SCHEMBL19904510 | 0.72 | ABCB1 (0.43) | HRH1KCNH2 | |
| SCHEMBL9845110 | 0.70 | RECQL (0.46) | MEN1KMT2AHTR1AHTR1DHTR1B | |
| SCHEMBL9845102 | 0.69 | RECQL (0.49) | MEN1GAAKMT2AHTR1AHTR1D |
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 |