Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 15/20 | 0.77 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.58 |
| ▸ | HRH1 | P35367 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5620536 | 0.99 | PARP1 (0.76) | PARP1PARP2HRH1MEN1CYP3A4 | |
| SCHEMBL7708434 | 0.96 | PARP1 (0.71) | PARP1PARP2 | |
| SCHEMBL5620203 | 0.95 | PARP1 (0.70) | PARP1PARP2MEN1CYP3A4CYP2D6 | |
| SCHEMBL7700467 | 0.93 | PARP1 (0.67) | PARP1PARP2 | |
| SCHEMBL5621780 | 0.92 | PARP1 (0.66) | PARP1PARP2 | |
| SCHEMBL5622232 | 0.91 | PARP1 (0.79) | PARP1PARP2HRH1 | |
| SCHEMBL5619907 | 0.91 | PARP1 (0.79) | PARP1PARP2HRH1 | |
| SCHEMBL5621864 | 0.91 | PARP1 (0.82) | PARP1PARP2HRH1 | |
| SCHEMBL5619904 | 0.89 | PARP1 (0.67) | PARP1PARP2HRH1 | |
| SCHEMBL5620553 | 0.88 | PARP1 (0.74) | PARP1PARP2HRH1 |
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 |