Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CA7 | P43166 | 1/20 | 0.53 |
| ▸ | CTSK | P43235 | 6/20 | 0.47 |
| ▸ | CTSL | P07711 | 2/20 | 0.47 |
| ▸ | CTSS | P25774 | 2/20 | 0.47 |
| ▸ | CTSB | P07858 | 1/20 | 0.47 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | AAK1 | Q2M2I8 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL25974779 | 1.00 | CA1 (0.53) | CA1CA2CA7CTSKCTSL | |
| SCHEMBL19001228 | 0.85 | CA1 (0.54) | CA1CA2CA7CTSKCTSL | |
| SCHEMBL24179248 | 0.85 | CA1 (0.44) | CA1CA2CA7CTSKCTSL | |
| SCHEMBL22088615 | 0.82 | CA1 (0.41) | CA1CA2CA7CTSKCTSL | |
| SCHEMBL22088616 | 0.82 | CA1 (0.41) | CA1CA2CA7CTSKCTSL | |
| SCHEMBL22088307 | 0.81 | CA1 (0.40) | CA1CA2CA7CTSKCTSL | |
| SCHEMBL22088614 | 0.81 | CA2 (0.40) | CA1CA2CA7CTSKCTSL | |
| SCHEMBL31402177 | 0.81 | CA1 (0.40) | CA1CA2CA7CTSKCTSL | |
| SCHEMBL31402115 | 0.80 | CA1 (0.45) | CA1CA2CA7CTSKCTSL | |
| SCHEMBL18681540 | 0.80 | CA1 (0.45) | CA1CA2CA7CTSKCTSS |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3389654-B1 | DIAMINO-ALKYLAMINO-LINKED ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS | MERCK SHARP & DOHME LLC (US) | 2023-08-16 | — | — | EP | disclosed |
| WO-2017106409-A1 | DIAMINO-ALKYLAMINO-LINKED ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS | MERCK SHARP & DOHME CORP. (US) | 2017-06-22 | — | — | WO | disclosed |