Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 16/20 | 0.61 |
| ▸ | PARP2 | Q9UGN5 | 3/20 | 0.50 |
| ▸ | HRH1 | P35367 | 2/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | HRH2 | P25021 | 1/20 | 0.41 |
| ▸ | HTR1B | P28222 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | HTR5A | P47898 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7706397 | 0.96 | PARP1 (0.55) | PARP1PARP2HRH1HTR1AADRA2C | |
| SCHEMBL7705471 | 0.91 | PARP1 (0.62) | PARP1PARP2 | |
| SCHEMBL7706351 | 0.91 | PARP1 (0.61) | PARP1PARP2DRD4 | |
| SCHEMBL7708486 | 0.90 | PARP1 (0.58) | PARP1PARP2HRH1HTR1AHTR2C | |
| SCHEMBL5619951 | 0.88 | PARP1 (0.56) | PARP1PARP2HRH1OPRM1 | |
| SCHEMBL5621241 | 0.88 | PARP1 (0.58) | PARP1PARP2HRH1DRD4 | |
| SCHEMBL7706349 | 0.88 | PARP1 (0.61) | PARP1PARP2HRH3 | |
| SCHEMBL7705626 | 0.87 | PARP1 (0.56) | PARP1PARP2 | |
| SCHEMBL7706365 | 0.87 | PARP1 (0.57) | PARP1PARP2HTR1AHTR7HTR2B | |
| SCHEMBL7708440 | 0.87 | PARP1 (0.61) | PARP1PARP2DRD4HTR2C |
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-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 |