Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 2/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CDK1 | P06493 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6662321 | 1.00 | ADORA1 (0.44) | ADORA1ADORA2AYTHDC1NFE2L2NPC1 | |
| SCHEMBL6664891 | 0.85 | CDK1 (0.48) | ADORA1ADORA2AYTHDC1NPC1RAB9A | |
| SCHEMBL6664888 | 0.85 | CDK1 (0.48) | ADORA1ADORA2AYTHDC1NPC1RAB9A | |
| SCHEMBL6663756 | 0.73 | ADORA1 (0.49) | ADORA1ADORA2AYTHDC1KDM4EALDH1A1 | |
| SCHEMBL6660882 | 0.71 | IP6K1 (0.46) | NFE2L2NPC1RAB9AKDM4EMEN1 | |
| SCHEMBL6660879 | 0.71 | IP6K1 (0.46) | NFE2L2NPC1RAB9AKDM4EMEN1 | |
| SCHEMBL6659391 | 0.70 | YTHDC1 (0.58) | ADORA1ADORA2AYTHDC1NPC1RAB9A | |
| SCHEMBL31061157 | 0.70 | YTHDC1 (0.58) | ADORA1ADORA2AYTHDC1NPC1RAB9A | |
| SCHEMBL6663342 | 0.70 | ADORA1 (0.45) | ADORA1ADORA2AYTHDC1ALDH1A1MAPT | |
| SCHEMBL6664688 | 0.67 | SLC29A1 (0.57) | NPSR1L3MBTL1CYP1A2PKM |
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 |