Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD44 | P16070 | 1/20 | 0.41 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.34 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.34 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.34 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | RAPGEF4 | Q8WZA2 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL7062222 | 0.79 | CD44 (0.48) | CD44GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL17964049 | 0.79 | TRPV4 (0.41) | TRPV4ALDH1A1 | |
| SCHEMBL29754733 | 0.79 | TRPV4 (0.41) | TRPV4ALDH1A1 | |
| SCHEMBL7550920 | 0.77 | CD44 (0.46) | CD44GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL9918976 | 0.77 | CD44 (0.46) | CD44GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL24022105 | 0.77 | TRPV4 (0.44) | TRPV4 | |
| SCHEMBL3483821 | 0.77 | CD44 (0.46) | CD44GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL20063929 | 0.77 | TRPV4 (0.39) | TRPV4ALDH1A1 | |
| SCHEMBL25036379 | 0.73 | CD44 (0.38) | CD44GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL11043190 | 0.72 | CD44 (0.46) | CD44GRIN2DGRIN3BGRIN1GRIN2A |
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-2018093694-A1 | DIAMINO-ALKYLAMINO-LINKED ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS | MERCK SHARP & DOHME CORP. (US) | 2018-05-24 | — | — | WO | disclosed |