Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL3102419 | 0.70 | CSNK1A1 (0.48) | ADORA2AADORA1GAA | |
| SCHEMBL30385626 | 0.68 | CYP2A6 (0.50) | ADORA2AADORA1 | |
| SCHEMBL1050861 | 0.66 | — | — | |
| SCHEMBL5266212 | 0.64 | DPP4 (0.44) | — | |
| SCHEMBL2044973 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL10675414 | 0.64 | — | — | |
| SCHEMBL6412367 | 0.63 | AHR (0.45) | ADORA1 | |
| SCHEMBL6033831 | 0.63 | MKNK1 (0.51) | — | |
| SCHEMBL29419519 | 0.63 | JAK2 (0.39) | — | |
| SCHEMBL3468574 | 0.62 | HSP90AA1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010074480-A2 | NOVEL PYRAZOLODIAZEPINE COMPOUNDS AS A TRANSGLUTAMINASE INHIBITOR, THE PREPARATION METHOD THEREOF AND A COMPOSITION CONTAINING THE SAME | NATIONAL CANCER CENTER (KR) | 2010-07-01 | — | — | WO | claimed |
| WO-2010074480-A2 | NOVEL PYRAZOLODIAZEPINE COMPOUNDS AS A TRANSGLUTAMINASE INHIBITOR, THE PREPARATION METHOD THEREOF AND A COMPOSITION CONTAINING THE SAME | NATIONAL CANCER CENTER (KR) | 2010-07-01 | — | — | WO | disclosed |