Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 17/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27662009 | 0.94 | CFTR (0.36) | CFTRAR | |
| SCHEMBL27516229 | 0.85 | CFTR (0.38) | CFTR | |
| SCHEMBL27516903 | 0.83 | CFTR (0.36) | CFTRCA12CA1CA2CA4 | |
| SCHEMBL27662011 | 0.82 | POLB (0.35) | CFTR | |
| SCHEMBL27539111 | 0.80 | AR (0.41) | AR | |
| SCHEMBL27641583 | 0.80 | CD44 (0.42) | CA12CA1CA2CA9 | |
| SCHEMBL27539454 | 0.80 | CFTR (0.34) | CFTRCA12CA1CA2CA4 | |
| SCHEMBL27623587 | 0.78 | CYP3A4 (0.36) | — | |
| SCHEMBL27641481 | 0.77 | AR (0.41) | AR | |
| SCHEMBL27623452 | 0.75 | CYP3A4 (0.36) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101657432-B | Dihydro-benzo[B][1,4]diazepin-2-one sulfonamide derivatives | HOFFMANN LA ROCHE CH | 2013-04-10 | — | — | CN | disclosed |
| CN-101657432-A | Dihydro-benzo [B] [1,4] diaza-2-ketone sulfonamide derivs | HOFFMANN LA ROCHE CH | 2010-02-24 | — | — | CN | disclosed |
| CN-1856312-A | Combination of mGluR2 antagonist and AChE inhibitor for treatment of acute and/or chronic neurological disorders | HOFFMANN LA ROCHE (CH) | 2006-11-01 | — | — | CN | disclosed |
| CN-1268626-C | Dihydro-benzo(b)(1,4)diazepin-2-one derivatives as mglur2 antagonists I | HOFFMANN LA ROCHE (CH) | 2006-08-09 | — | — | CN | disclosed |
| CN-1522252-A | Dihydro-benzo(b)(1,4)diazepin-2-one derivatives as mglur2 antagonists I | - | 2004-08-18 | — | — | CN | disclosed |