Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 4/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 4/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 4/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 4/20 | 0.38 |
| ▸ | ABL1 | P00519 | 3/20 | 0.38 |
| ▸ | PDGFRB | P09619 | 3/20 | 0.38 |
| ▸ | KDR | P35968 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL24577218 | 0.85 | JAK2 (0.37) | CYP3A4ABL1KDM4EJAK2ALDH1A1 | |
| SCHEMBL24577029 | 0.85 | HDAC6 (0.37) | CYP3A4HDAC6IRAK4JAK2JAK1 | |
| SCHEMBL29760097 | 0.76 | MAPK13 (0.39) | CYP3A4CYP2C19HDAC3HDAC4HDAC1 | |
| SCHEMBL24577612 | 0.75 | PDGFRA (0.45) | ABL1KDM4ELMNAHTTALDH1A1 | |
| SCHEMBL24577132 | 0.75 | NAMPT (0.38) | CYP3A4CYP2A6CYP2C9CYP2C19HDAC3 | |
| SCHEMBL24578460 | 0.74 | HDAC6 (0.36) | HDAC6KDRIRAK4JAK2ALDH1A1 | |
| SCHEMBL30566450 | 0.73 | MKNK1 (0.46) | CYP3A4CYP2E1CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL29759991 | 0.73 | MKNK1 (0.46) | CYP3A4CYP2E1CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL24577161 | 0.73 | HDAC6 (0.39) | CYP3A4HDAC6IRAK4JAK2JAK1 | |
| SCHEMBL24577081 | 0.71 | HDAC6 (0.37) | CYP3A4HDAC6IRAK4JAK2JAK1 |
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-2022136509-A1 | PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS | ACTELION PHARMACEUTICALS LTD (CH) | 2022-06-30 | — | — | WO | disclosed |