Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 7/20 | 0.49 |
| ▸ | GRM5 | P41594 | 1/20 | 0.44 |
| ▸ | CDK2 | P24941 | 2/20 | 0.43 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.43 |
| ▸ | CASK | O14936 | 1/20 | 0.43 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.43 |
| ▸ | CDKL5 | O76039 | 1/20 | 0.43 |
| ▸ | CDK14 | O94921 | 1/20 | 0.43 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.43 |
| ▸ | CDK1 | P06493 | 1/20 | 0.43 |
| ▸ | CDK4 | P11802 | 1/20 | 0.43 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.43 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.43 |
| ▸ | MAK | P20794 | 1/20 | 0.43 |
| ▸ | CDK11B | P21127 | 1/20 | 0.43 |
| ▸ | CCND1 | P24385 | 1/20 | 0.43 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.43 |
| ▸ | CCND3 | P30281 | 1/20 | 0.43 |
| ▸ | CLK1 | P49759 | 1/20 | 0.43 |
| ▸ | CLK2 | P49760 | 1/20 | 0.43 |
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 SCHEMBL16973775 | 0.91 | CDK2 (0.49) | SMYD3GRM5CDK2CCNA1CASK | |
| SCHEMBL19784084 | 0.87 | CNR1 (0.50) | SMYD3GRM5CD38CNR1 | |
| SCHEMBL16984511 | 0.85 | GRM5 (0.46) | GRM5CD38KHKCNR1 | |
| Hydrochloric Acid SCHEMBL16973644 | 0.84 | GRM5 (0.45) | GRM5CD38KHKCNR1 | |
| SCHEMBL16973834 | 0.81 | SMYD3 (0.46) | SMYD3GRM5CD38 | |
| SCHEMBL16973688 | 0.80 | CD38 (0.42) | SMYD3GRM5CD38CNR1 | |
| SCHEMBL30040519 | 0.80 | CD38 (0.63) | SMYD3GRM5CDK2CCNA2GSK3A | |
| SCHEMBL22829189 | 0.78 | GRM5 (0.45) | SMYD3GRM5CD38CNR1 | |
| SCHEMBL22829190 | 0.78 | GRM5 (0.45) | SMYD3GRM5CD38CNR1 | |
| SCHEMBL16973839 | 0.78 | SMYD3 (0.50) | SMYD3CDK2CCNA1CASKCCNT1 |
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 |