Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 20/20 | 0.67 |
| ▸ | PARP2 | Q9UGN5 | 6/20 | 0.52 |
| ▸ | PARP3 | Q9Y6F1 | 3/20 | 0.42 |
| ▸ | TNKS | O95271 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.42 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.42 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.42 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.42 |
| ▸ | PARP12 | Q9H0J9 | 1/20 | 0.42 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.42 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.42 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5621633 | 0.93 | PARP1 (0.68) | PARP1PARP2PARP3TNKSCHRM2 | |
| SCHEMBL5619953 | 0.92 | PARP1 (0.65) | PARP1PARP2 | |
| Hydrochloric Acid SCHEMBL18614367 | 0.92 | PARP1 (0.67) | PARP1PARP2PARP3TNKSCHRM2 | |
| Hydrochloric Acid SCHEMBL18614385 | 0.91 | PARP1 (0.64) | PARP1PARP2 | |
| SCHEMBL5621230 | 0.83 | PARP1 (0.47) | PARP1PARP2 | |
| SCHEMBL6778530 | 0.82 | PARP1 (0.52) | PARP1PARP2 | |
| SCHEMBL6782750 | 0.82 | PARP1 (0.52) | PARP1PARP2 | |
| SCHEMBL5074338 | 0.82 | PARP1 (0.52) | PARP1PARP2 | |
| SCHEMBL5621474 | 0.82 | PARP1 (0.46) | PARP1PARP2DYRK1B | |
| SCHEMBL5621408 | 0.81 | PARP1 (0.53) | PARP1PARP2PARP3TNKSCHRM2 |
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 |