Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 8/20 | 0.50 |
| ▸ | PI4KA | P42356 | 7/20 | 0.50 |
| ▸ | PI4K2B | Q8TCG2 | 7/20 | 0.50 |
| ▸ | PI4K2A | Q9BTU6 | 7/20 | 0.50 |
| ▸ | PI4KB | Q9UBF8 | 7/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.50 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.50 |
| ▸ | EGFR | P00533 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.43 |
| ▸ | BLM | P54132 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | THPO | P40225 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4245944 | 0.78 | ADORA2A (0.58) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL13269011 | 0.77 | ADORA2A (0.65) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL28018567 | 0.77 | PI4KA (0.56) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL13268766 | 0.77 | ADORA2A (0.65) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL9373702 | 0.77 | PI4KA (0.60) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL13268709 | 0.74 | ADORA2A (0.62) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL13269043 | 0.74 | ADORA2A (0.62) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL25981418 | 0.69 | ADORA2A (0.71) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL754007 | 0.68 | ADORA2A (1.00) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL22474983 | 0.68 | ADORA2A (0.69) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0457773-A4 | N?6 -SUBSTITUTED 9-METHYLADENINES: A NEW CLASS OF ADENOSINE RECEPTOR ANTAGONISTS | — | 1993-03-10 | — | — | EP | claimed |
| EP-0457773-A1 | N?6 -SUBSTITUTED 9-METHYLADENINES: A NEW CLASS OF ADENOSINE RECEPTOR ANTAGONISTS | WHITBY RESEARCH, Inc. (US) | 1991-11-27 | — | — | EP | claimed |
| WO-1990009178-A1 | N6-SUBSTITUTED 9-METHYLADENINES: A NEW CLASS OF ADENOSINE RECEPTOR ANTAGONISTS | WHITBY RESEARCH, INC. (US) | 1990-08-23 | — | — | WO | claimed |