Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 14/20 | 0.54 |
| ▸ | PARP2 | Q9UGN5 | 5/20 | 0.52 |
| ▸ | PARP3 | Q9Y6F1 | 3/20 | 0.52 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.52 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.52 |
| ▸ | TNKS | O95271 | 1/20 | 0.52 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.52 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.52 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.52 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.52 |
| ▸ | PARP12 | Q9H0J9 | 1/20 | 0.52 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.52 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.52 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.52 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL5620276 | 0.94 | PARP1 (0.53) | PARP1PARP2PARP3CHRM1DYRK1A | |
| SCHEMBL5621664 | 0.92 | PARP1 (0.54) | PARP1PARP2PARP3CHRM1DYRK1A | |
| SCHEMBL5621092 | 0.89 | PARP1 (0.54) | PARP1PARP2PARP3CHRM1DYRK1A | |
| SCHEMBL5620635 | 0.89 | PARP1 (0.55) | PARP1PARP2PARP3CHRM1DYRK1A | |
| SCHEMBL5620784 | 0.88 | PARP1 (0.51) | PARP1PARP2PARP3CHRM1DYRK1A | |
| SCHEMBL5621194 | 0.88 | PARP1 (0.53) | PARP1PARP2PARP3CHRM1DYRK1A | |
| SCHEMBL5620661 | 0.88 | PARP1 (0.51) | PARP1PARP2PARP3CHRM1DYRK1A | |
| SCHEMBL5621597 | 0.87 | PARP1 (0.55) | PARP1PARP2JAK2JAK1TYK2 | |
| SCHEMBL5619700 | 0.85 | JAK2 (0.56) | PARP1PARP2PARP3CHRM1DYRK1A | |
| SCHEMBL7041213 | 0.85 | CHRM1 (0.46) | PARP1PARP2PARP3CHRM1DYRK1A |
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 |