Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD38 | P28907 | 2/20 | 0.42 |
| ▸ | PRKAA2 | P54646 | 5/20 | 0.42 |
| ▸ | PRKAB2 | O43741 | 3/20 | 0.42 |
| ▸ | PRKAG1 | P54619 | 3/20 | 0.42 |
| ▸ | PRKAA1 | Q13131 | 3/20 | 0.42 |
| ▸ | PRKAG3 | Q9UGI9 | 3/20 | 0.42 |
| ▸ | PRKAG2 | Q9UGJ0 | 3/20 | 0.42 |
| ▸ | PRKAB1 | Q9Y478 | 3/20 | 0.42 |
| ▸ | GRM5 | P41594 | 1/20 | 0.41 |
| ▸ | SMYD3 | Q9H7B4 | 5/20 | 0.41 |
| ▸ | SLC6A12 | P48065 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16973824 | 0.86 | GRM5 (0.43) | CD38PRKAA2PRKAB2PRKAG1PRKAA1 | |
| SCHEMBL16973834 | 0.85 | SMYD3 (0.46) | CD38GRM5SMYD3 | |
| SCHEMBL19784084 | 0.83 | CNR1 (0.50) | CD38GRM5SMYD3CNR1 | |
| SCHEMBL16984512 | 0.82 | USP30 (0.51) | — | |
| SCHEMBL16973678 | 0.82 | DYRK1A (0.51) | PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3 | |
| SCHEMBL16973738 | 0.80 | DYRK1A (0.51) | PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3 | |
| SCHEMBL16973743 | 0.80 | PRKAA2 (0.46) | PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3 | |
| SCHEMBL16973827 | 0.80 | SMYD3 (0.49) | CD38GRM5SMYD3CNR1 | |
| SCHEMBL16973716 | 0.79 | HPGDS (0.51) | CD38PRKAA2PRKAB2PRKAG1PRKAA1 | |
| SCHEMBL19463038 | 0.78 | EGFR (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015113927-A1 | AMINO-SUBSTITUTED ISOTHIAZOLES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2015-08-06 | — | — | WO | disclosed |