Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHB4 | P54760 | 1/20 | 0.44 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.42 |
| ▸ | EGLN1 | Q9GZT9 | 3/20 | 0.41 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HPGDS | O60760 | 1/20 | 0.38 |
| ▸ | ALKBH2 | Q6NS38 | 1/20 | 0.38 |
| ▸ | LCK | P06239 | 1/20 | 0.38 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.37 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | BTK | Q06187 | 1/20 | 0.36 |
| ▸ | ALKBH1 | Q13686 | 2/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | JAK3 | P52333 | 1/20 | 0.36 |
| ▸ | CCNC | P24863 | 1/20 | 0.36 |
| ▸ | CDK8 | P49336 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL30573194 | 0.77 | MAP4K4 (0.44) | MAP4K4EGLN1MAP2K4NPC1RAB9A | |
| SCHEMBL31322788 | 0.77 | MAPK14 (0.49) | EPHB4MAP4K4EGLN1NPC1RAB9A | |
| SCHEMBL28008773 | 0.75 | ALDH1A1 (0.48) | RAB9AKMT2ALMNAJAK2JAK3 | |
| SCHEMBL8043489 | 0.71 | RIPK2 (0.54) | EPHB4NPC1RAB9ALMNATSHR | |
| SCHEMBL4500055 | 0.70 | SCN9A (0.54) | MAP4K4EGLN1NPC1RAB9AHPGDS | |
| SCHEMBL20504240 | 0.70 | MAPT (0.59) | MAP4K4NPC1RAB9AKMT2AHPGDS | |
| SCHEMBL2190049 | 0.69 | ALKBH2 (0.74) | MAP4K4EGLN1NPC1RAB9AKMT2A | |
| SCHEMBL30962788 | 0.69 | TSHR (0.47) | EPHB4MAP4K4MAP2K4LCKLMNA | |
| SCHEMBL4481678 | 0.67 | HPGDS (0.51) | MAP4K4NPC1RAB9AKMT2AHPGDS | |
| SCHEMBL30132085 | 0.67 | HPGDS (0.51) | MAP4K4NPC1RAB9AKMT2AHPGDS |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1121363-A2 | 6-SUBSTITUTED PYRAZOLO 3,4-d]PYRIMIDIN-4-ONES USEFUL AS CYCLIN DEPENDENT KINASE INHIBITORS | Du Pont Pharmaceuticals Company (US) | 2001-08-08 | — | — | EP | disclosed |
| WO-2000021926-A2 | 6-SUBSTITUTED PYRAZOLO[3,4-d]PYRIMIDIN-4-ONES USEFUL AS CYCLIN DEPENDENT KINASE INHIBITORS | DU PONT PHARMACEUTICALS COMPANY (US) | 2000-04-20 | — | — | WO | disclosed |