Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13317175 | 0.76 | — | — | |
| SCHEMBL27266789 | 0.73 | — | — | |
| SCHEMBL24608663 | 0.72 | CCR5 (0.42) | CCR5CHRNB2CHRNA7CHRNA4CHRNB4 | |
| SCHEMBL21851999 | 0.72 | CCR5 (0.42) | CCR5CHRNB2CHRNA7CHRNA4CHRNB4 | |
| SCHEMBL13919073 | 0.72 | CCR5 (0.42) | CCR5CHRNB2CHRNA7CHRNA4CHRNB4 | |
| SCHEMBL25594117 | 0.72 | CCR5 (0.42) | CCR5CHRNB2CHRNA7CHRNA4CHRNB4 | |
| SCHEMBL5909326 | 0.71 | — | — | |
| SCHEMBL4773512 | 0.71 | CCR5 (0.67) | CCR5CHRNB2CHRNA7CHRNA4CHRNB4 | |
| SCHEMBL1338772 | 0.71 | — | — | |
| SCHEMBL260464 | 0.71 | — | — |
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 |