Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 9/20 | 0.53 |
| ▸ | PBK | Q96KB5 | 3/20 | 0.43 |
| ▸ | KDM5A | P29375 | 2/20 | 0.42 |
| ▸ | KDM5B | Q9UGL1 | 2/20 | 0.42 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL5619953 | 0.88 | PARP1 (0.65) | PARP1PARP2 | |
| Hydrochloric Acid SCHEMBL18614385 | 0.87 | PARP1 (0.64) | PARP1PARP2 | |
| SCHEMBL6780404 | 0.85 | PBK (0.46) | PARP1PBKKDM5AKDM5BPARP2 | |
| SCHEMBL5620666 | 0.85 | PARP1 (0.52) | PARP1PBKPARP2 | |
| SCHEMBL5620189 | 0.81 | PARP1 (0.67) | PARP1PARP2 | |
| SCHEMBL5620711 | 0.78 | PARP1 (0.79) | PARP1PARP2 | |
| SCHEMBL7964868 | 0.77 | HTR2C (0.47) | PARP1 | |
| SCHEMBL6129582 | 0.77 | PARP1 (0.45) | PARP1PBK | |
| SCHEMBL6786430 | 0.75 | PARP1 (0.50) | PARP1PARP2HTR2B | |
| SCHEMBL6783911 | 0.75 | PARP1 (0.50) | PARP1PARP2HTR2B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE39608-E1 | Substituted benzimidazoles and their use as PARP inhibitors | ABBOTT GMBH & CO. KG (DE) | 2007-05-01 | — | — | US | disclosed |
| US-6448271-B1 | SUCH AS 2-(PIPERIDIN-4-YL)BENZIMIDAZOLE-4-CARBOXAMIDE; INHIBITORS OF ENZYME POLY(ADP-RIBOSE)POLYMERASE; IMPROVED WATER SOLUBILITY | BASF AKTIENGESELLSCHAFT (DE) | 2002-09-10 | — | — | US | disclosed |