Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | PI4KA | P42356 | 1/20 | 0.35 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.35 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.35 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.35 |
| ▸ | CDK1 | P06493 | 3/20 | 0.34 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.34 |
| ▸ | CDK2 | P24941 | 2/20 | 0.34 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | PDE4A | P27815 | 1/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10001264 | 0.83 | MEN1 (0.45) | ALDH1A1MEN1KMT2AADORA2AADORA2B | |
| SCHEMBL15290224 | 0.78 | ALDH1A1 (0.56) | ALDH1A1MEN1KMT2AADORA2AADORA1 | |
| SCHEMBL5436105 | 0.77 | ALDH1A1 (0.50) | ALDH1A1MEN1KMT2AADORA2AADORA2B | |
| SCHEMBL7416953 | 0.75 | ALDH1A1 (0.47) | ALDH1A1MEN1KMT2ATSHRHSD17B10 | |
| SCHEMBL17311159 | 0.75 | ALDH1A1 (0.56) | ALDH1A1TSHRCYP2C19HSD17B10 | |
| SCHEMBL7419700 | 0.74 | ALDH1A1 (0.46) | ALDH1A1KMT2ACDK2CCNE1 | |
| SCHEMBL1964476 | 0.73 | ALDH1A1 (0.42) | ALDH1A1 | |
| SCHEMBL9845196 | 0.72 | ALDH1A1 (0.50) | ALDH1A1KMT2AADORA2AADORA2BADORA1 | |
| SCHEMBL18510398 | 0.71 | ALDH1A1 (0.43) | ALDH1A1MEN1KMT2AADORA2AADORA2B | |
| SCHEMBL18510362 | 0.70 | MEN1 (0.42) | ALDH1A1MEN1KMT2AADORA2AADORA2B |
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 |
|---|---|---|---|---|---|---|---|
| US-6268373-B1 | ENZYME INHIBITORS | EURO-CELTIQUE S.A. (LU) | 2001-07-31 | — | — | US | disclosed |