Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA5 | P31644 | 1/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.37 |
| ▸ | GAK | O14976 | 2/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 2/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | BRAF | P15056 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.33 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.33 |
| ▸ | P2RX2 | Q9UBL9 | 1/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 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 | |
|---|---|---|---|---|
| SCHEMBL5728276 | 0.90 | CHEK1 (0.40) | GABRA5CHEK1GAKHDAC3HDAC1 | |
| SCHEMBL5727993 | 0.85 | CHEK1 (0.39) | GABRA5CHEK1GAKMAPK1 | |
| SCHEMBL5430675 | 0.83 | CHEK1 (0.42) | GABRA5CHEK1GAKHDAC3HDAC1 | |
| SCHEMBL5728133 | 0.74 | CYP17A1 (0.40) | HDAC3HDAC1HDAC2 | |
| SCHEMBL5728061 | 0.74 | NR1H4 (0.31) | HDAC3HDAC1HDAC2 | |
| SCHEMBL5727951 | 0.74 | IKBKB (0.41) | — | |
| SCHEMBL5728485 | 0.73 | ALDH1A1 (0.41) | CHEK1 | |
| SCHEMBL5435719 | 0.72 | IKBKB (0.46) | CHEK1KCNH2 | |
| SCHEMBL6112105 | 0.72 | ALDH1A1 (0.37) | GAKHDAC3HDAC1HDAC2FYN | |
| SCHEMBL2874583 | 0.68 | CHEK1 (0.46) | CHEK1HDAC3HDAC1HDAC2FYN |
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 |
|---|---|---|---|---|---|---|---|
| EP-1694665-A2 | SUBSTITUTED THIOPHENES | AiCuris GmbH & Co. KG (DE) | 2006-08-30 | — | — | EP | disclosed |
| WO-2005063734-A2 | SUBSTITUTED THIOPHENES | AICURIS GMBH & CO. KG (DE) | 2005-07-14 | — | — | WO | disclosed |