Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 4/20 | 0.50 |
| ▸ | CDK2 | P24941 | 2/20 | 0.44 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.44 |
| ▸ | CASK | O14936 | 1/20 | 0.44 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.44 |
| ▸ | CDKL5 | O76039 | 1/20 | 0.44 |
| ▸ | CDK14 | O94921 | 1/20 | 0.44 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.44 |
| ▸ | CDK1 | P06493 | 1/20 | 0.44 |
| ▸ | CDK4 | P11802 | 1/20 | 0.44 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.44 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.44 |
| ▸ | MAK | P20794 | 1/20 | 0.44 |
| ▸ | CDK11B | P21127 | 1/20 | 0.44 |
| ▸ | CCND1 | P24385 | 1/20 | 0.44 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.44 |
| ▸ | CCND3 | P30281 | 1/20 | 0.44 |
| ▸ | CLK1 | P49759 | 1/20 | 0.44 |
| ▸ | CLK2 | P49760 | 1/20 | 0.44 |
| ▸ | CLK3 | P49761 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL16973695 | 0.91 | CDK2 (0.50) | SMYD3CDK2CCNA1CASKCCNT1 | |
| SCHEMBL14315886 | 0.89 | SIRT6 (0.50) | SMYD3SIRT6CNR1 | |
| SCHEMBL22565328 | 0.85 | CNR1 (0.56) | CNR1 | |
| SCHEMBL16984501 | 0.85 | SIRT6 (0.46) | SIRT6CNR1 | |
| Hydrochloric Acid SCHEMBL16973705 | 0.84 | SIRT6 (0.45) | SIRT6CNR1 | |
| SCHEMBL16984562 | 0.81 | GABRA1 (0.44) | SIRT6CNR1 | |
| SCHEMBL16973743 | 0.79 | PRKAA2 (0.46) | SMYD3SIRT6CNR1 | |
| SCHEMBL24225723 | 0.79 | SMYD3 (0.44) | SMYD3CDK2CCNA1CASKCCNT1 | |
| SCHEMBL29471863 | 0.79 | SMYD3 (0.44) | SMYD3CDK2CCNA1CASKCCNT1 | |
| SCHEMBL2964744 | 0.78 | SMYD3 (0.54) | SMYD3 |
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 |