Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.48 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.48 |
| ▸ | TACR2 | P21452 | 1/20 | 0.46 |
| ▸ | TACR1 | P25103 | 1/20 | 0.46 |
| ▸ | HRH1 | P35367 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.45 |
| ▸ | HTR1D | P28221 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.45 |
| ▸ | HTR7 | P34969 | 1/20 | 0.45 |
| ▸ | HTR2B | P41595 | 1/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.43 |
| ▸ | AURKA | O14965 | 1/20 | 0.43 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.43 |
| ▸ | PAK4 | O96013 | 1/20 | 0.43 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.43 |
| ▸ | FYN | P06241 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7706364 | 0.96 | PARP1 (0.53) | PARP1KCNH2PARP2TACR2TACR1 | |
| SCHEMBL7706345 | 0.90 | PARP1 (0.61) | PARP1PARP2HRH1HTR1AHTR2C | |
| SCHEMBL5619951 | 0.90 | PARP1 (0.56) | PARP1KCNH2PARP2HRH1OPRM1 | |
| SCHEMBL7705471 | 0.89 | PARP1 (0.62) | PARP1KCNH2PARP2LTA4H | |
| SCHEMBL7706351 | 0.88 | PARP1 (0.61) | PARP1PARP2 | |
| SCHEMBL7706397 | 0.86 | PARP1 (0.55) | PARP1PARP2HRH1HTR1AHTR2C | |
| SCHEMBL5621241 | 0.86 | PARP1 (0.58) | PARP1KCNH2PARP2HRH1 | |
| SCHEMBL5621735 | 0.86 | PARP1 (0.51) | PARP1KCNH2PARP2HRH1CHEK1 | |
| SCHEMBL5619933 | 0.86 | PARP1 (0.80) | PARP1PARP2CHEK1AURKAPRKD3 | |
| SCHEMBL7706349 | 0.86 | PARP1 (0.61) | PARP1KCNH2PARP2 |
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 |