Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 5/20 | 0.59 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.50 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.47 |
| ▸ | GPR68 | Q15743 | 1/20 | 0.47 |
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 SCHEMBL5478228 | 0.86 | APP (0.67) | APPADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL31410965 | 0.80 | APP (0.60) | APPADORA2AADORA1ADORA3ADORA2B | |
| Sulfuric Acid SCHEMBL5467550 | 0.79 | APP (0.58) | APPADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL6026151 | 0.78 | MAOA (0.51) | ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL6904713 | 0.77 | KCNN3 (0.51) | APPMAPT | |
| SCHEMBL11698011 | 0.76 | APP (0.56) | APPADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL3422229 | 0.75 | APP (0.60) | APPNPSR1 | |
| SCHEMBL3298289 | 0.75 | KCNH3 (0.73) | APPMAPTNPSR1GAAKCNH3 | |
| SCHEMBL21814659 | 0.75 | APP (0.36) | APPNPSR1KCNH3 | |
| SCHEMBL3301514 | 0.74 | NPSR1 (0.74) | APPADORA2ANPSR1GAAKCNH3 |
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-1670802-A2 | NOVEL HETEROCYCLIC COMPOUNDS AS HSP90-INHIBITORS | Conforma Therapeutic Corporation (US) | 2006-06-21 | — | — | EP | disclosed |
| WO-2005028434-A2 | NOVEL HETEROCYCLIC COMPOUNDS AS HSP90-INHIBITORS | CONFORMA THERAPEUTICS CORPORATION (US) | 2005-03-31 | — | — | WO | disclosed |