Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | TACR3 | P29371 | 1/20 | 0.45 |
| ▸ | LNPEP | Q9UIQ6 | 3/20 | 0.45 |
| ▸ | ERAP1 | Q9NZ08 | 2/20 | 0.45 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.45 |
| ▸ | CNR1 | P21554 | 2/20 | 0.45 |
| ▸ | CNR2 | P34972 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3467369 | 0.81 | CAPN1 (0.46) | ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL3466837 | 0.77 | ALDH1A1 (0.42) | ADORA3ADORA2AADORA2BADORA1ALDH1A1 | |
| SCHEMBL30272415 | 0.74 | ATM (0.58) | GAARAB9AATMALDH1A1LMNA | |
| SCHEMBL4935854 | 0.73 | SMN1; SMN2 (0.46) | ADORA3ADORA2AADORA2BADORA1ALDH1A1 | |
| SCHEMBL3468846 | 0.73 | FTO (0.46) | ADORA3ADORA2AADORA1ALDH1A1 | |
| SCHEMBL31206887 | 0.71 | GAA (0.76) | GAARAB9AATMALDH1A1LMNA | |
| SCHEMBL2461492 | 0.71 | GAA (0.76) | GAARAB9AATMALDH1A1LMNA | |
| SCHEMBL1793176 | 0.71 | GAA (0.76) | GAARAB9AATMALDH1A1LMNA | |
| SCHEMBL9088699 | 0.71 | RAB9A (0.71) | GAARAB9AATMALDH1A1LMNA | |
| SCHEMBL9088697 | 0.71 | RAB9A (0.71) | GAARAB9AATMALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| 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 |