Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.31 |
| ▸ | PDE4A | P27815 | 2/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.31 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.30 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL19993186 | 0.74 | — | — | |
| SCHEMBL22239422 | 0.65 | KDM4E (0.34) | NPSR1ALDH1A1LMNAKDM4EGAA | |
| SCHEMBL11143446 | 0.64 | NPSR1 (0.40) | NPSR1ALDH1A1KDM4EGAACHRM3 | |
| SCHEMBL27831431 | 0.63 | KDM4E (0.43) | NPSR1ALDH1A1LMNAKDM4EGAA | |
| SCHEMBL21763860 | 0.62 | LMNA (0.41) | ALDH1A1LMNAKDM4EGAAL3MBTL1 | |
| SCHEMBL22548279 | 0.62 | KDM4E (0.46) | NPSR1ALDH1A1LMNAKDM4EGAA | |
| SCHEMBL7719942 | 0.62 | — | — | |
| SCHEMBL19074320 | 0.61 | — | — | |
| SCHEMBL22764783 | 0.60 | — | — | |
| SCHEMBL12632950 | 0.60 | — | — |
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-3682879-A1 | PROCESSES AND INTERMEDIATES IN THE PREPARATION OF C5AR ANTAGONISTS | ChemoCentryx, Inc. (US) | 2020-07-22 | — | — | EP | disclosed |