Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.40 |
| ▸ | DHODH | Q02127 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 3/20 | 0.37 |
| ▸ | DRD3 | P35462 | 3/20 | 0.37 |
| ▸ | PDE5A | O76074 | 2/20 | 0.37 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | MELK | Q14680 | 1/20 | 0.36 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6799974 | 0.96 | PARP1 (0.41) | PARP1DHODHKDM4EALDH1A1TDP1 | |
| SCHEMBL6806306 | 0.93 | PARP1 (0.47) | PARP1DHODHKDM4ETBXAS1HTR1A | |
| SCHEMBL6810662 | 0.92 | PARP1 (0.49) | PARP1DHODHKDM4ETBXAS1HTR1A | |
| SCHEMBL6810121 | 0.91 | HTR1A (0.41) | PARP1DHODHKDM4EALDH1A1TBXAS1 | |
| SCHEMBL6809941 | 0.88 | PARP1 (0.48) | PARP1DHODHKDM4EALDH1A1HTR1A | |
| SCHEMBL6802868 | 0.88 | HTR1A (0.45) | PARP1DHODHKDM4EALDH1A1TDP1 | |
| SCHEMBL6805803 | 0.88 | PARP1 (0.49) | PARP1DHODHKDM4EALDH1A1HTR1A | |
| SCHEMBL6806267 | 0.87 | HTR1A (0.43) | PARP1KDM4EALDH1A1HTR1ADRD2 | |
| SCHEMBL6806003 | 0.87 | PARP1 (0.56) | PARP1DHODHROCK1CHEK2 | |
| SCHEMBL6806140 | 0.84 | DRD2 (0.44) | PARP1KDM4EALDH1A1TDP1HTR1A |
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 |
|---|---|---|---|---|---|---|---|
| US-6696437-B1 | Heterocyclically substituted benzimidazoles, the production and application thereof | ABBOTT GMBH & CO. KG (DE) | 2004-02-24 | — | — | US | disclosed |