Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 2/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.45 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.43 |
| ▸ | CDK1 | P06493 | 1/20 | 0.38 |
| ▸ | SLC29A1 | Q99808 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | THPO | P40225 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | NSD2 | O96028 | 1/20 | 0.36 |
| ▸ | NSD3 | Q9BZ95 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6661513 | 0.85 | SLC29A1 (0.49) | ADORA1ADORA2AYTHDC1CDK1SLC29A1 | |
| SCHEMBL6664688 | 0.79 | SLC29A1 (0.57) | SLC29A1CYP1A2PKMTSHRHTT | |
| SCHEMBL6660729 | 0.78 | SLC29A1 (0.59) | ADORA2ASLC29A1 | |
| SCHEMBL6659707 | 0.75 | ADORA2A (0.55) | ADORA2ASLC29A1CYP1A2HTT | |
| SCHEMBL31060261 | 0.75 | ADORA2A (0.55) | ADORA2ASLC29A1CYP1A2HTT | |
| SCHEMBL6426384 | 0.74 | CYP1A2 (0.59) | ADORA1ADORA2AYTHDC1CDK1CYP1A2 | |
| SCHEMBL6663756 | 0.74 | ADORA1 (0.49) | ADORA1ADORA2AYTHDC1CDK1CYP1A2 | |
| SCHEMBL6666118 | 0.72 | SLC29A1 (0.56) | ADORA2ASLC29A1CYP1A2HTT | |
| SCHEMBL31061437 | 0.72 | SLC29A1 (0.56) | ADORA2ASLC29A1CYP1A2HTT | |
| SCHEMBL6660434 | 0.72 | ADORA3 (0.55) | ADORA1ADORA2AMAPK14MAPTHTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1444982-A1 | The use of purine derivatives as selective kinase inhibitors | MERCKLE GMBH (DE) | 2004-08-11 | — | — | EP | disclosed |