Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
| ▸ | CDK4 | P11802 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.34 |
| ▸ | MET | P08581 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HTR3A | P46098 | 1/20 | 0.31 |
| ▸ | KDM2A | Q9Y2K7 | 4/20 | 0.31 |
| ▸ | KDM6B | O15054 | 3/20 | 0.31 |
| ▸ | KDM4A | O75164 | 3/20 | 0.31 |
| ▸ | KDM5C | P41229 | 3/20 | 0.31 |
| ▸ | KDM4C | Q9H3R0 | 3/20 | 0.31 |
| ▸ | KDM3A | Q9Y4C1 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29403922 | 1.00 | HDAC6 (0.42) | HDAC6CDK4KMT2ADRD2DRD4 | |
| SCHEMBL28712709 | 0.99 | KMT2A (0.43) | HDAC6CDK4KMT2ADRD2DRD4 | |
| SCHEMBL29371058 | 0.99 | KMT2A (0.43) | HDAC6CDK4KMT2ADRD2DRD4 | |
| SCHEMBL28686719 | 0.74 | KDM2A (0.41) | DRD2DRD4DRD3AKR1A1AKR1B1 | |
| SCHEMBL29372180 | 0.74 | KDM2A (0.41) | DRD2DRD4DRD3AKR1A1AKR1B1 | |
| SCHEMBL28695530 | 0.73 | KDM2A (0.41) | HDAC6DRD2DRD4DRD3IRAK4 | |
| SCHEMBL29371735 | 0.73 | KDM2A (0.41) | HDAC6DRD2DRD4DRD3IRAK4 | |
| SCHEMBL28690412 | 0.72 | CDK2 (0.56) | HDAC6CDK4 | |
| SCHEMBL28714816 | 0.71 | LRRK2 (0.39) | SMN1; SMN2IRAK4MAPT | |
| SCHEMBL29403059 | 0.71 | LRRK2 (0.39) | SMN1; SMN2IRAK4MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-114105958-B | Hydroximic acid-containing 2-phenylamino pyrimidine derivatives and application thereof | 郑州大学第一附属医院 | 2022-11-22 | — | — | CN | disclosed |
| CN-114105958-A | Hydroximic acid-containing 2-phenylamino pyrimidine derivatives and application thereof | 郑州大学第一附属医院 | 2022-03-01 | — | — | CN | disclosed |