Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.47 |
| ▸ | CCR8 | P51685 | 1/20 | 0.47 |
| ▸ | TGFBR1 | P36897 | 11/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | METAP2 | P50579 | 1/20 | 0.36 |
| ▸ | S100A4 | P26447 | 1/20 | 0.36 |
| ▸ | RAD52 | P43351 | 1/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.35 |
| ▸ | KCNN3 | Q9UGI6 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30443126 | 0.82 | CCR1 (0.47) | CCR1CCR8TGFBR1CYP3A4CYP2C8 | |
| SCHEMBL30443144 | 0.82 | PDE10A (0.53) | CCR1CCR8TGFBR1CYP3A4CYP2C8 | |
| SCHEMBL4102510 | 0.77 | PDE10A (0.43) | PDE10AKCNN3KDRCCNE1CDK2 | |
| SCHEMBL30603250 | 0.76 | DYRK1A (0.43) | TGFBR1PDE10ACDK2MAPK14 | |
| SCHEMBL26113981 | 0.76 | DYRK1A (0.43) | TGFBR1PDE10ACDK2MAPK14 | |
| SCHEMBL30443210 | 0.75 | TGFBR1 (0.54) | CCR1CCR8TGFBR1CYP3A4CYP2C8 | |
| SCHEMBL30443305 | 0.75 | TGFBR1 (0.40) | CCR1CCR8TGFBR1CYP3A4CYP2C8 | |
| SCHEMBL14158414 | 0.75 | PDE10A (0.36) | S100A4RAD52PDE10AKDRCCNE1 | |
| SCHEMBL31023 | 0.73 | PDE10A (0.46) | PDE10AKCNN3KDRCCNE1CDK2 | |
| SCHEMBL12952967 | 0.72 | CCNE1 (0.39) | CYP3A4PDE10ACCNE1CDK2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113620956-B | Transforming growth factor receptor antagonist, preparation method and application thereof | 赛诺哈勃药业（成都）有限公司 | 2023-06-13 | — | — | CN | disclosed |