Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | ALPL | P05186 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | CTSA | P10619 | 1/20 | 0.33 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.33 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.33 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.33 |
| ▸ | FEN1 | P39748 | 1/20 | 0.33 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.33 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | KDM4D | Q6B0I6 | 1/20 | 0.33 |
| ▸ | GCK | P35557 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5728217 | 0.86 | IKBKB (0.42) | JAK2CYP17A1NPC1MAPTRAB9A | |
| SCHEMBL5728133 | 0.85 | CYP17A1 (0.40) | CYP17A1EGLN2AAK1ALDH1A1GAA | |
| SCHEMBL5727828 | 0.83 | JAK2 (0.43) | JAK2CNR1CHEK1CYP17A1NPC1 | |
| SCHEMBL5429738 | 0.83 | JAK2 (0.43) | JAK2CNR1CHEK1NPC1MAPT | |
| SCHEMBL5727996 | 0.77 | JAK2 (0.40) | JAK2CNR1CHEK1ALPLCTSA | |
| SCHEMBL5727913 | 0.76 | IKBKB (0.43) | JAK2CYP17A1NPC1MAPTRAB9A | |
| SCHEMBL27713217 | 0.76 | IKBKB (0.43) | JAK2CYP17A1NPC1MAPTRAB9A | |
| SCHEMBL5728164 | 0.74 | CUL4A (0.38) | CYP17A1AAK1ALDH1A1GAA | |
| SCHEMBL5727993 | 0.74 | CHEK1 (0.39) | JAK2CHEK1ADORA2A | |
| SCHEMBL2523289 | 0.71 | MAPT (0.39) | JAK2CYP17A1NPC1MAPTRAB9A |
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 |