Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 1/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 11/20 | 0.33 |
| ▸ | JAK3 | P52333 | 11/20 | 0.33 |
| ▸ | ADK | P55263 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4709570 | 0.88 | KDM4E (0.38) | NUDT1ADORA2AKDRJAK2JAK3 | |
| SCHEMBL4760688 | 0.87 | NPC1 (0.41) | NUDT1ADORA2AJAK2JAK3RAB9A | |
| SCHEMBL5453382 | 0.86 | KDM4E (0.37) | ADORA2AKDRJAK2JAK3ADK | |
| SCHEMBL4759759 | 0.73 | JAK2 (0.35) | NUDT1JAK2JAK3 | |
| SCHEMBL10756085 | 0.69 | KDR (0.34) | NUDT1KEAP1ADORA2AKDRJAK2 | |
| SCHEMBL3703475 | 0.69 | JAK2 (0.55) | JAK2JAK3NPC1MAPT | |
| SCHEMBL5741027 | 0.66 | SMPD3 (0.50) | NUDT1JAK2JAK3 | |
| SCHEMBL14686167 | 0.63 | JAK2 (0.42) | JAK2JAK3KMT2AALDH1A1TP53 | |
| SCHEMBL3021469 | 0.62 | NUDT1 (0.43) | NUDT1ADORA2AJAK2 | |
| SCHEMBL5478336 | 0.61 | RAB9A (0.59) | NUDT1ADORA2ARAB9AKMT2AALDH1A1 |
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-1928879-A2 | FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS | Brystol-Myers Squibb Company (US) | 2008-06-11 | — | — | EP | disclosed |
| WO-2007038314-A2 | FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-04-05 | — | — | WO | disclosed |