Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2089025 | 0.85 | CES2 (0.44) | PARP1CES2CES1GPBAR1PIK3CA | |
| SCHEMBL2089023 | 0.85 | CES2 (0.44) | PARP1CES2CES1GPBAR1PIK3CA | |
| SCHEMBL29460301 | 0.85 | CES2 (0.44) | PARP1CES2CES1GPBAR1PIK3CA | |
| SCHEMBL7858429 | 0.85 | CES2 (0.44) | PARP1CES2CES1GPBAR1PIK3CA | |
| SCHEMBL10940408 | 0.83 | CES2 (0.42) | PARP1CES2CES1GPBAR1PIK3CA | |
| SCHEMBL9956070 | 0.83 | GPBAR1 (0.45) | PARP1CES2CES1GPBAR1PIK3CA | |
| SCHEMBL11756402 | 0.82 | BTK (0.46) | PARP1CES2CES1GPBAR1PIK3CA | |
| SCHEMBL28250211 | 0.82 | GPBAR1 (0.40) | PARP1CES2CES1GPBAR1PIK3CA | |
| Hydrochloric Acid SCHEMBL27945132 | 0.81 | PARP1 (0.47) | PARP1CES2CES1GPBAR1PIK3CA | |
| SCHEMBL19027676 | 0.80 | HTT (0.42) | CES2CES1GPBAR1PIK3CAALDH1A1 |
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-2007069986-A1 | NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS | ASTRAZENECA AB (SE) | 2007-06-21 | — | — | WO | claimed |
| WO-2007069986-A1 | NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS | ASTRAZENECA AB (SE) | 2007-06-21 | — | — | WO | disclosed |