Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.34 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.33 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.30 |
| ▸ | SCN9A | Q15858 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20064449 | 0.88 | MALT1 (0.35) | GPBAR1ACKR3MALT1SCN9A | |
| SCHEMBL21222650 | 0.86 | SCN9A (0.37) | GPBAR1ACKR3MALT1SCN9A | |
| SCHEMBL21222647 | 0.86 | SCN9A (0.37) | GPBAR1ACKR3MALT1SCN9A | |
| SCHEMBL21222010 | 0.84 | SCN9A (0.36) | GPBAR1ACKR3MALT1SCN9A | |
| SCHEMBL21222012 | 0.84 | SCN9A (0.36) | GPBAR1ACKR3MALT1SCN9A | |
| SCHEMBL20064396 | 0.76 | NPC1 (0.33) | — | |
| SCHEMBL20064896 | 0.76 | HCRTR2 (0.32) | GPBAR1ACKR3 | |
| SCHEMBL20064062 | 0.75 | PPARA (0.31) | — | |
| SCHEMBL21222312 | 0.74 | ACKR3 (0.38) | ACKR3MALT1SCN9A | |
| SCHEMBL21221932 | 0.74 | SCN9A (0.39) | ACKR3MALT1SCN9A |
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-2018069863-A1 | 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2018-04-19 | — | — | WO | disclosed |