Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.34 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.32 |
| ▸ | GRM2 | Q14416 | 3/20 | 0.32 |
| ▸ | HTR3A | P46098 | 2/20 | 0.32 |
| ▸ | EBP | Q15125 | 1/20 | 0.32 |
| ▸ | DHCR7 | Q9UBM7 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | HRH1 | P35367 | 1/20 | 0.30 |
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 SCHEMBL6508148 | 0.99 | PARP1 (0.36) | PARP1L3MBTL3L3MBTL1KCNH2GRM2 | |
| SCHEMBL7257136 | 0.81 | OPRM1 (0.37) | PARP1KCNH2GRM2HTR3A | |
| SCHEMBL6633308 | 0.80 | HRH1 (0.43) | PARP1KCNH2GRM2HTR3ACRHR1 | |
| SCHEMBL6508880 | 0.80 | CCR4 (0.39) | PARP1L3MBTL3L3MBTL1CYP2D6HRH1 | |
| SCHEMBL7257145 | 0.78 | KCNH2 (0.37) | PARP1KCNH2GRM2HTR3AALDH1A1 | |
| SCHEMBL7257413 | 0.78 | PARP1 (0.36) | PARP1KCNH2GRM2HTR3ACRHR1 | |
| SCHEMBL7257414 | 0.76 | KCNH2 (0.39) | PARP1KCNH2GRM2HTR3A | |
| SCHEMBL6630805 | 0.76 | PARP1 (0.43) | PARP1HTR3AKDM4EALDH1A1 | |
| SCHEMBL6631361 | 0.75 | HDAC6 (0.46) | PARP1KCNH2GRM2KDM4EALDH1A1 | |
| SCHEMBL7262852 | 0.75 | MAPK1 (0.33) | PARP1L3MBTL1KCNH2GRM2HTR3A |
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 4 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 |
| EP-1389194-A2 | INHIBITORS OF BACE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2004-02-18 | — | — | EP | disclosed |
| WO-2002088101-A2 | INHIBITORS OF BACE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-11-07 | — | — | WO | disclosed |