Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.37 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.37 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.36 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.36 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.35 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL23295193 | 0.94 | MRGPRX4 (0.41) | MRGPRX4NPC1PTGER1S1PR5CYP4F2 | |
| SCHEMBL29619690 | 0.94 | MRGPRX4 (0.41) | MRGPRX4NPC1PTGER1S1PR5CYP4F2 | |
| SCHEMBL29619704 | 0.79 | SLC6A9 (0.45) | MRGPRX4NPC1PTGER1S1PR5LMNA | |
| SCHEMBL23209843 | 0.79 | SLC6A9 (0.42) | MRGPRX4NPC1PTGER1CYP4F2CYP4A11 | |
| SCHEMBL29619701 | 0.79 | SLC6A9 (0.42) | MRGPRX4NPC1PTGER1CYP4F2CYP4A11 | |
| SCHEMBL23210176 | 0.79 | SLC6A9 (0.45) | MRGPRX4NPC1PTGER1S1PR5LMNA | |
| SCHEMBL23213252 | 0.78 | ADRA2A (0.38) | — | |
| SCHEMBL29619688 | 0.78 | ADRA2A (0.38) | — | |
| SCHEMBL31357720 | 0.77 | LTA4H (0.40) | MRGPRX4NPC1PTGER1S1PR5CYP4F2 | |
| SCHEMBL23212925 | 0.77 | SLC6A9 (0.43) | MRGPRX4NPC1PTGER1LMNALIPE |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021070091-A1 | 5-OXA-2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS | NOVARTIS AG (CH) | 2021-04-15 | — | — | WO | disclosed |