Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 7/20 | 0.75 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.75 |
| ▸ | AHCY | P23526 | 9/20 | 0.73 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.69 |
| ▸ | PI4KA | P42356 | 2/20 | 0.61 |
| ▸ | PI4K2B | Q8TCG2 | 2/20 | 0.61 |
| ▸ | PI4K2A | Q9BTU6 | 2/20 | 0.61 |
| ▸ | PI4KB | Q9UBF8 | 2/20 | 0.61 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL16603993 | 0.89 | AHCY (0.85) | ADORA2AADORA1AHCYALDH1A1PI4KA | |
| SCHEMBL1393316 | 0.86 | ADORA2A (1.00) | ADORA2AADORA1AHCYALDH1A1PI4KA | |
| SCHEMBL29496348 | 0.86 | ADORA2A (1.00) | ADORA2AADORA1AHCYALDH1A1PI4KA | |
| SCHEMBL904363 | 0.86 | ADORA2A (1.00) | ADORA2AADORA1AHCYALDH1A1PI4KA | |
| SCHEMBL5810639 | 0.86 | ADORA2A (1.00) | ADORA2AADORA1AHCYALDH1A1PI4KA | |
| (S)-Dhpa SCHEMBL936286 | 0.84 | AHCY (1.00) | ADORA2AADORA1AHCYALDH1A1PI4KA | |
| (S)-Dhpa SCHEMBL936287 | 0.84 | AHCY (1.00) | ADORA2AADORA1AHCYALDH1A1PI4KA | |
| SCHEMBL28855667 | 0.84 | ADORA2A (0.97) | ADORA2AADORA1AHCYALDH1A1PI4KA | |
| (S)-Dhpa SCHEMBL28605202 | 0.84 | AHCY (1.00) | ADORA2AADORA1AHCYALDH1A1PI4KA | |
| SCHEMBL28068456 | 0.84 | AHCY (0.78) | ADORA2AADORA1AHCYALDH1A1PI4KA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020042129-A1 | Immortalized human skin cell lines and novel serum-free medium useful for the production thereof | NESTEC S.A. | 2002-04-11 | — | — | US | claimed |
| EP-1695088-A1 | METHOD FOR ANALYSING METABOLITES | Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2006-08-30 | — | — | EP | disclosed |
| WO-2005059556-A1 | METHOD FOR ANALYSING METABOLITES | MAX PLANCK GESELLLSCHAFT ZUR FÖRDERUNG DER WISSENSCHAFTEN E.V. (DE) | 2005-06-30 | — | — | WO | disclosed |