Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 3/20 | 0.46 |
| ▸ | GRM5 | P41594 | 1/20 | 0.45 |
| ▸ | USP7 | Q93009 | 1/20 | 0.44 |
| ▸ | USP47 | Q96K76 | 1/20 | 0.44 |
| ▸ | CD38 | P28907 | 2/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.43 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.42 |
| ▸ | SELP | P16109 | 1/20 | 0.41 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.41 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL16973688 | 0.85 | CD38 (0.42) | SMYD3GRM5CD38 | |
| SCHEMBL19784084 | 0.84 | CNR1 (0.50) | SMYD3GRM5CD38 | |
| SCHEMBL16973738 | 0.84 | DYRK1A (0.51) | SMYD3TYRO3 | |
| SCHEMBL13267799 | 0.81 | PRKAA2 (0.53) | CHRNB2CHRNB4CHRNA3CHRNA4SSTR4 | |
| SCHEMBL16973712 | 0.81 | CD38 (0.47) | SMYD3CD38 | |
| SCHEMBL16984512 | 0.81 | USP30 (0.51) | HDAC4 | |
| SCHEMBL16973827 | 0.81 | SMYD3 (0.49) | SMYD3GRM5CD38 | |
| SCHEMBL16973678 | 0.80 | DYRK1A (0.51) | — | |
| SCHEMBL16973716 | 0.80 | HPGDS (0.51) | CD38 | |
| SCHEMBL30040519 | 0.80 | CD38 (0.63) | SMYD3GRM5CD38 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015113927-A1 | AMINO-SUBSTITUTED ISOTHIAZOLES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2015-08-06 | — | — | WO | disclosed |
| WO-2015113927-A1 | AMINO-SUBSTITUTED ISOTHIAZOLES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2015-08-06 | — | — | WO | disclosed |