Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 2/20 | 0.39 |
| ▸ | PIK3C3 | Q8NEB9 | 2/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.38 |
| ▸ | GSK3B | P49841 | 3/20 | 0.37 |
| ▸ | GSK3A | P49840 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 2/20 | 0.37 |
| ▸ | JAK1 | P23458 | 1/20 | 0.37 |
| ▸ | TYK2 | P29597 | 1/20 | 0.37 |
| ▸ | IKBKB | O14920 | 2/20 | 0.36 |
| ▸ | CHUK | O15111 | 2/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | PRKCI | P41743 | 2/20 | 0.36 |
| ▸ | AXL | P30530 | 1/20 | 0.36 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.36 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.36 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | PAK4 | O96013 | 1/20 | 0.36 |
| ▸ | CSF1R | P07333 | 1/20 | 0.36 |
| ▸ | RET | P07949 | 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 | |
|---|---|---|---|---|
| SCHEMBL14062242 | 0.85 | PIK3C3 (0.49) | NUDT1PIK3C3TRPA1JAK3DYRK1A | |
| SCHEMBL14059926 | 0.83 | NUDT1 (0.40) | NUDT1PIK3C3TRPA1GSK3BGSK3A | |
| SCHEMBL15753484 | 0.81 | HPGDS (0.47) | NUDT1PIK3C3GSK3BGSK3AJAK2 | |
| SCHEMBL3887252 | 0.81 | NUDT1 (0.51) | NUDT1KDRMAPK1 | |
| SCHEMBL15753311 | 0.80 | GSK3B (0.55) | GSK3BGSK3AJAK2TYK2PRKCI | |
| SCHEMBL13759613 | 0.78 | ATR (0.42) | NUDT1PIK3C3JAK2JAK1TYK2 | |
| SCHEMBL23877021 | 0.75 | TRPA1 (0.45) | TRPA1JAK2IKBKBCHUKDRD1 | |
| Hydrochloric Acid SCHEMBL29243587 | 0.74 | TRPA1 (0.44) | TRPA1JAK2IKBKBCHUKDRD1 | |
| SCHEMBL9936674 | 0.74 | PDE3B (0.42) | NUDT1PIK3C3TRPA1JAK2IKBKB | |
| SCHEMBL21603403 | 0.72 | DRD1 (0.39) | NUDT1TRPA1DRD1PRKCIAXL |
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-1742948-A2 | BICYCLIC HETEROCYCLES AS KINASE INHIBITORS | Bristol-Myers Squibb Company (US) | 2007-01-17 | — | — | EP | disclosed |
| WO-2005116028-A2 | BICYCLIC HETEROCYCLES AS KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-12-08 | — | — | WO | disclosed |