Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.47 |
| ▸ | DHODH | Q02127 | 1/20 | 0.47 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.42 |
| ▸ | DRD2 | P14416 | 2/20 | 0.41 |
| ▸ | DRD3 | P35462 | 2/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | FLT3 | P36888 | 1/20 | 0.38 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6810662 | 0.99 | PARP1 (0.49) | PARP1DHODHCHEK2DRD2DRD3 | |
| SCHEMBL6809941 | 0.95 | PARP1 (0.48) | PARP1DHODHCHEK2KDM4EHTR1A | |
| SCHEMBL6805803 | 0.95 | PARP1 (0.49) | PARP1DHODHCHEK2KDM4EHTR1A | |
| SCHEMBL6810121 | 0.93 | HTR1A (0.41) | PARP1DHODHDRD2DRD3KDM4E | |
| SCHEMBL6806004 | 0.93 | PARP1 (0.40) | PARP1DHODHCHEK2DRD2DRD3 | |
| SCHEMBL6802868 | 0.90 | HTR1A (0.45) | PARP1DHODHDRD2DRD3KDM4E | |
| SCHEMBL6799974 | 0.88 | PARP1 (0.41) | PARP1DHODHCHEK2KDM4ETBXAS1 | |
| SCHEMBL6806267 | 0.88 | HTR1A (0.43) | PARP1DRD2DRD3KDM4EHTR1A | |
| SCHEMBL6806298 | 0.86 | PARP1 (0.65) | PARP1DHODHCHEK2AURKBPIM1 | |
| SCHEMBL6810652 | 0.85 | PARP1 (0.66) | PARP1DHODHCHEK2AURKBPIM1 |
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 |