Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 4/20 | 0.49 |
| ▸ | CDK4 | P11802 | 2/20 | 0.49 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.49 |
| ▸ | SMYD3 | Q9H7B4 | 3/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.40 |
| ▸ | KHK | P50053 | 1/20 | 0.40 |
| ▸ | FLT3 | P36888 | 1/20 | 0.39 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | GRM5 | P41594 | 1/20 | 0.38 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.38 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.38 |
| ▸ | CASK | O14936 | 1/20 | 0.38 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.38 |
| ▸ | CDKL5 | O76039 | 1/20 | 0.38 |
| ▸ | CDK14 | O94921 | 1/20 | 0.38 |
| ▸ | CCNB2 | O95067 | 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 | |
|---|---|---|---|---|
| SCHEMBL16973827 | 0.91 | SMYD3 (0.49) | CDK2CDK4CDK5SMYD3KHK | |
| Trifluoroacetic Acid SCHEMBL16973695 | 0.82 | CDK2 (0.50) | CDK2CDK4CDK5SMYD3HDAC4 | |
| SCHEMBL19784084 | 0.79 | CNR1 (0.50) | SMYD3GRM5CD38CNR1 | |
| SCHEMBL16984511 | 0.78 | GRM5 (0.46) | KHKGRM5CD38CNR1 | |
| Hydrochloric Acid SCHEMBL16973644 | 0.77 | GRM5 (0.45) | KHKGRM5CD38CNR1 | |
| SCHEMBL16973712 | 0.76 | CD38 (0.47) | SMYD3DYRK1ACD38 | |
| SCHEMBL16973716 | 0.75 | HPGDS (0.51) | DYRK1ACD38 | |
| SCHEMBL16973688 | 0.75 | CD38 (0.42) | SMYD3GRM5CD38CNR1 | |
| Trifluoroacetic Acid SCHEMBL21050218 | 0.74 | SCN9A (0.56) | CDK2CDK4CDK5SCN9APAK4 | |
| SCHEMBL22829189 | 0.74 | GRM5 (0.45) | SMYD3GRM5CD38CNR1 |
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 |