Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.36 |
| ▸ | SCD | O00767 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | AKT1 | P31749 | 3/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6507301 | 0.99 | PARP1 (0.35) | PARP1SCDCNR1CNR2AKT1 | |
| SCHEMBL6504752 | 0.85 | MLYCD (0.39) | PARP1CNR1CNR2AKT1KCNH2 | |
| Hydrochloric Acid SCHEMBL6139500 | 0.83 | PARP1 (0.55) | PARP1 | |
| SCHEMBL7262771 | 0.80 | AVPR1A (0.43) | PARP1OPRM1OPRD1OPRK1 | |
| SCHEMBL6630805 | 0.77 | PARP1 (0.43) | PARP1KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL6510200 | 0.76 | PARP1 (0.42) | PARP1KDM4EALDH1A1 | |
| SCHEMBL6630480 | 0.76 | MAPT (0.40) | PARP1KDM4EALDH1A1 | |
| SCHEMBL7257136 | 0.75 | OPRM1 (0.37) | PARP1KCNH2GRM2OPRM1OPRD1 | |
| Hydrochloric Acid SCHEMBL6505881 | 0.75 | MAPT (0.39) | PARP1KDM4EALDH1A1 | |
| SCHEMBL6508880 | 0.75 | CCR4 (0.39) | PARP1OPRM1OPRD1OPRK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1309594-B1 | BENZIMIDAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF | SANOFI AVENTIS (FR) | 2004-12-15 | — | — | EP | claimed |
| EP-1309594-B1 | BENZIMIDAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF | SANOFI AVENTIS (FR) | 2004-12-15 | — | — | EP | disclosed |
| CN-1446218-A | Benzimidazole derivatives, their preparation and their therapeutic use | SANOFI SYNTHELABO (FR) | 2003-10-01 | — | — | CN | disclosed |