Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC29A1 | Q99808 | 1/20 | 0.49 |
| ▸ | CDK1 | P06493 | 1/20 | 0.49 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.47 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | THPO | P40225 | 1/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6663342 | 0.85 | ADORA1 (0.45) | SLC29A1CDK1ADORA1ADORA2AYTHDC1 | |
| SCHEMBL6666246 | 0.78 | CYP1A2 (0.68) | SLC29A1CDK1ALDH1A1HPGDLMNA | |
| SCHEMBL31060284 | 0.77 | ADORA2A (0.62) | SLC29A1ADORA2AALDH1A1HPGDCYP1A2 | |
| SCHEMBL6662063 | 0.77 | ADORA2A (0.62) | SLC29A1ADORA2AALDH1A1HPGDCYP1A2 | |
| SCHEMBL6426384 | 0.76 | CYP1A2 (0.59) | CDK1ADORA1ADORA2AYTHDC1SMN1; SMN2 | |
| SCHEMBL6666272 | 0.75 | ADORA2A (0.51) | SLC29A1ADORA1ADORA2AALDH1A1HPGD | |
| SCHEMBL6660016 | 0.74 | ADORA3 (0.62) | ADORA1ADORA2AALDH1A1HPGDLMNA | |
| SCHEMBL6662718 | 0.72 | CDK1 (0.52) | CDK1ADORA1ADORA2AYTHDC1NPC1 | |
| SCHEMBL29842526 | 0.72 | CDK1 (0.52) | CDK1ADORA1ADORA2AYTHDC1NPC1 | |
| SCHEMBL754946 | 0.72 | ADORA1 (0.51) | CDK1ADORA1ADORA2AYTHDC1ALDH1A1 |
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 |