Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 4/20 | 0.51 |
| ▸ | PI4KA | P42356 | 4/20 | 0.49 |
| ▸ | PI4K2B | Q8TCG2 | 4/20 | 0.49 |
| ▸ | PI4K2A | Q9BTU6 | 4/20 | 0.49 |
| ▸ | PI4KB | Q9UBF8 | 4/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.49 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.49 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.49 |
| ▸ | AHCY | P23526 | 3/20 | 0.48 |
| ▸ | CDK1 | P06493 | 2/20 | 0.44 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.44 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.44 |
| ▸ | CDK2 | P24941 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.41 |
| ▸ | BLM | P54132 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5626685 | 0.90 | AHCY (0.48) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL15941621 | 0.89 | ADORA2A (0.63) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL2950069 | 0.88 | ADORA2A (0.49) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL17352601 | 0.86 | ADORA2A (0.65) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL2954550 | 0.85 | ADORA2A (0.66) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL2953211 | 0.83 | ADORA2A (0.48) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL2952924 | 0.82 | ADORA2A (0.51) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| Sulfuric Acid SCHEMBL9424495 | 0.79 | CYP1A2 (0.63) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL1931240 | 0.79 | AHCY (0.50) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL28301987 | 0.77 | AHCY (0.46) | ADORA2API4KAPI4K2BPI4K2API4KB |
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-2010111406-A2 | COMPOUNDS AND THERAPEUTIC USES THEREOF | MYRIAD PHARMACEUTICALS, INC. (US) | 2010-09-30 | — | — | WO | claimed |