Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.39 |
| ▸ | DHFR | P00374 | 1/20 | 0.37 |
| ▸ | IDH1 | O75874 | 2/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
| ▸ | ATP4A | P20648 | 1/20 | 0.35 |
| ▸ | ATP4B | P51164 | 1/20 | 0.35 |
| ▸ | TDO2 | P48775 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7612337 | 0.94 | CYP3A4 (0.53) | PARP1CYP3A4CYP2C9CYP1A2CYP2D6 | |
| SCHEMBL7611919 | 0.85 | CYP3A4 (0.53) | PARP1CYP3A4CYP2C9CYP1A2CYP2D6 | |
| SCHEMBL5788740 | 0.79 | PARP1 (0.54) | PARP1CYP2C9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL7613739 | 0.79 | MEN1 (0.42) | PARP1CYP3A4CYP2C9CYP1A2CYP2D6 | |
| SCHEMBL7610690 | 0.79 | DRD2 (0.56) | PARP1MEN1KMT2AGAADRD2 | |
| SCHEMBL7617298 | 0.78 | CYP3A4 (0.44) | PARP1CYP3A4CYP2C9CYP1A2CYP2D6 | |
| SCHEMBL5901958 | 0.74 | CYP3A4 (0.46) | PARP1CYP3A4CYP2C9CYP1A2CYP2D6 | |
| SCHEMBL7612343 | 0.73 | CYP3A4 (0.53) | PARP1CYP3A4CYP2C9CYP1A2CYP2D6 | |
| SCHEMBL3072602 | 0.71 | PARP1 (0.53) | PARP1CYP2C9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL4191637 | 0.71 | PARP1 (0.53) | PARP1CYP2C9CYP1A2CYP2D6CYP2C19 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0906288-B1 | NEW COMPOUNDS | ASTRAZENECA AB (SE) | 2002-11-06 | — | — | EP | claimed |
| US-6465505-B1 | SUCH AS 4-(2,6-DIMETHYLBENZYLAMINO OR BENZYLOXY)-2-METHYL BENZIMIDAZOLE; INHIBITING EXOGENOUS OR ENDOGENOUS STIMULATED GASTRIC ACID SECRETION; PREVENTION AND TREATMENT OF GASTRO-INTESTINAL INFLAMMATORY DISEASES | ASTRAZENECA AB (SE) | 2002-10-15 | — | — | US | claimed |
| EP-0906288-A1 | NEW COMPOUNDS | Astra Aktiebolag (SE) | 1999-04-07 | — | — | EP | claimed |
| WO-1997047603-A1 | NEW COMPOUNDS | ASTRA AKTIEBOLAG (SE) | 1997-12-18 | — | — | WO | claimed |
| EP-0906288-B1 | NEW COMPOUNDS | ASTRAZENECA AB (SE) | 2002-11-06 | — | — | EP | disclosed |
| US-6465505-B1 | SUCH AS 4-(2,6-DIMETHYLBENZYLAMINO OR BENZYLOXY)-2-METHYL BENZIMIDAZOLE; INHIBITING EXOGENOUS OR ENDOGENOUS STIMULATED GASTRIC ACID SECRETION; PREVENTION AND TREATMENT OF GASTRO-INTESTINAL INFLAMMATORY DISEASES | ASTRAZENECA AB (SE) | 2002-10-15 | — | — | US | disclosed |
| EP-0906288-A1 | NEW COMPOUNDS | Astra Aktiebolag (SE) | 1999-04-07 | — | — | EP | disclosed |
| WO-1997047603-A1 | NEW COMPOUNDS | ASTRA AKTIEBOLAG (SE) | 1997-12-18 | — | — | WO | disclosed |