Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | JAK3 | P52333 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.30 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.30 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.30 |
| ▸ | SPR | P35270 | 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 | |
|---|---|---|---|---|
| SCHEMBL28795484 | 0.89 | GRIN2B (0.35) | GRIN2BGRIN2CCTSKJAK3USP2 | |
| SCHEMBL8950892 | 0.84 | GRIN2B (0.38) | GRIN2BGRIN2CCTSKJAK3USP2 | |
| SCHEMBL3267126 | 0.82 | GRIN2B (0.41) | GRIN2BGRIN2CCTSKJAK3USP2 | |
| SCHEMBL28905698 | 0.81 | GRIN2B (0.41) | GRIN2BGRIN2CCTSKJAK3USP2 | |
| SCHEMBL26694693 | 0.81 | GRIN2B (0.36) | GRIN2BGRIN2CCTSKJAK3USP2 | |
| SCHEMBL28511913 | 0.80 | CTSK (0.42) | GRIN2BGRIN2CCTSKJAK3USP2 | |
| SCHEMBL3000664 | 0.79 | GRIN2B (0.40) | GRIN2BGRIN2CCTSKJAK3USP2 | |
| SCHEMBL3000663 | 0.79 | GRIN2B (0.40) | GRIN2BGRIN2CCTSKJAK3USP2 | |
| SCHEMBL10039817 | 0.79 | GRIN2B (0.40) | GRIN2BGRIN2CCTSKJAK3USP2 | |
| SCHEMBL18568275 | 0.79 | TACR1 (0.41) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3074402-B1 | BICYCLOAMINE-SUBSTITUTED-N-BENZENESULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS | MERCK SHARP & DOHME (US) | 2019-01-16 | — | — | EP | disclosed |
| EP-3074402-A1 | BICYCLOAMINE-SUBSTITUTED-N-BENZENESULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS | Merck Sharp & Dohme Corp. (US) | 2016-10-05 | — | — | EP | disclosed |
| WO-2015077905-A1 | BICYCLOAMINE-SUBSTITUTED-N-BENZENESULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS | MERCK SHARP & DOHME CORP. (US) | 2015-06-04 | — | — | WO | disclosed |
| WO-2015080988-A1 | BICYCLOAMINE-SUBSTITUTED-N-BENZENESULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS | MERCK SHARP & DOHME CORP. (US) | 2015-06-04 | — | — | WO | disclosed |