Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 14/20 | 0.55 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
| ▸ | DRD1 | P21728 | 1/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | HRH2 | P25021 | 1/20 | 0.42 |
| ▸ | HTR1B | P28222 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | HTR7 | P34969 | 1/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | HTR5A | P47898 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 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 | |
|---|---|---|---|---|
| SCHEMBL7706345 | 0.96 | PARP1 (0.61) | PARP1PARP2ALDH1A1HTR1AADRA2C | |
| SCHEMBL7705626 | 0.91 | PARP1 (0.56) | PARP1PARP2 | |
| SCHEMBL7705624 | 0.90 | PARP1 (0.55) | PARP1PARP2HTR1AADRA2CDRD1 | |
| SCHEMBL7706352 | 0.90 | PARP1 (0.55) | PARP1PARP2HTR2CHTR7HTR2B | |
| SCHEMBL7700398 | 0.90 | PARP1 (0.55) | PARP1PARP2ALDH1A1DRD4HTR2B | |
| SCHEMBL7702685 | 0.90 | PARP1 (0.55) | PARP1PARP2 | |
| SCHEMBL7706364 | 0.90 | PARP1 (0.53) | PARP1PARP2HTR1AHTR2CHTR7 | |
| SCHEMBL5621735 | 0.88 | PARP1 (0.51) | PARP1PARP2HRH1 | |
| SCHEMBL7702702 | 0.88 | PARP1 (0.55) | PARP1PARP2 | |
| SCHEMBL5620912 | 0.88 | PARP1 (0.53) | PARP1PARP2DRD4HRH1 |
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 |