Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 13/20 | 0.49 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.49 |
| ▸ | CHEK2 | O96017 | 5/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.42 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TNKS | O95271 | 1/20 | 0.38 |
| ▸ | GUSB | P08236 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.38 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.38 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 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 | |
|---|---|---|---|---|
| SCHEMBL6801835 | 0.86 | AURKB (0.44) | PARP1CHEK2KDRAURKBTNKS | |
| SCHEMBL6807111 | 0.86 | PARP1 (0.46) | PARP1CHEK2KDRAURKBTNKS | |
| SCHEMBL6804961 | 0.84 | PARP1 (0.72) | PARP1PLA2G2AALOX15PTGS2CHEK2 | |
| SCHEMBL6807301 | 0.81 | PARP1 (0.39) | PARP1PLA2G2AALOX15PTGS2CHEK2 | |
| SCHEMBL3582143 | 0.78 | AURKB (0.56) | PARP1KDRAURKB | |
| SCHEMBL3581925 | 0.78 | AURKB (0.47) | PARP1PLA2G2AALOX15PTGS2CHEK2 | |
| SCHEMBL31053400 | 0.78 | PARP1 (0.67) | PARP1PLA2G2AALOX15PTGS2CHEK2 | |
| SCHEMBL3575391 | 0.77 | DHODH (0.47) | PARP1ALOX15CHEK2KDRAURKB | |
| SCHEMBL6806674 | 0.76 | PARP1 (0.39) | PARP1PLA2G2AALOX15PTGS2CHEK2 | |
| SCHEMBL6804756 | 0.76 | PARP1 (0.37) | PARP1CHEK2KDRAURKB |
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 |