Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.43 |
| ▸ | PDE4A | P27815 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 5/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL18819581 | 0.90 | KMT2A (0.50) | KMT2ARXFP1TRPA1PDE4ALMNA | |
| SCHEMBL19246058 | 0.89 | ADORA2A (0.52) | KMT2ARXFP1TRPA1PDE4ALMNA | |
| SCHEMBL17682129 | 0.87 | ADORA2B (0.52) | RXFP1PDE4ALMNACYP1A2NFKB1 | |
| SCHEMBL20182588 | 0.85 | KMT2A (0.47) | KMT2ARXFP1TRPA1LMNAMAPT | |
| SCHEMBL17682250 | 0.85 | KMT2A (0.52) | KMT2ARXFP1TRPA1PDE4ALMNA | |
| SCHEMBL17682284 | 0.85 | KMT2A (0.52) | KMT2ARXFP1TRPA1PDE4ALMNA | |
| SCHEMBL17682285 | 0.85 | KMT2A (0.52) | KMT2ARXFP1TRPA1PDE4ALMNA | |
| SCHEMBL19607674 | 0.84 | KMT2A (0.47) | KMT2ARXFP1TRPA1PDE4ALMNA | |
| SCHEMBL19608042 | 0.83 | LMNA (0.48) | KMT2ARXFP1TRPA1PDE4ALMNA | |
| SCHEMBL18819573 | 0.82 | KMT2A (0.47) | KMT2ARXFP1TRPA1PDE4ALMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017071606-A1 | MEDICAL USE OF HYDROXYL PURINE COMPOUND | 南京明德新药研发股份有限公司 | 2017-05-04 | — | — | WO | disclosed |