Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | ABCC1 | P33527 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 7/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.39 |
| ▸ | BTK | Q06187 | 1/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7706360 | 0.96 | CYP3A4 (0.43) | HRH3CYP3A4ABCC1MAPTNPSR1 | |
| SCHEMBL7708467 | 0.91 | CYP3A4 (0.42) | CYP3A4ABCC1PARP1BTKNOS1 | |
| SCHEMBL7705637 | 0.91 | CYP3A4 (0.41) | CYP3A4ABCC1PARP1GRM2BTK | |
| SCHEMBL7706393 | 0.91 | CYP3A4 (0.43) | CYP3A4ABCC1PARP1GRM2BTK | |
| SCHEMBL7700428 | 0.91 | CYP3A4 (0.41) | CYP3A4ABCC1PARP1BTKNOS1 | |
| SCHEMBL7702571 | 0.91 | CYP3A4 (0.45) | CYP3A4ABCC1PARP1CYP2C9GRM2 | |
| SCHEMBL7705476 | 0.90 | HRH3 (0.46) | HRH3CYP3A4ABCC1PARP1GRM2 | |
| SCHEMBL5621205 | 0.89 | CHKA (0.41) | CYP3A4ABCC1MAPTPARP1BTK | |
| SCHEMBL5621743 | 0.88 | CYP3A4 (0.41) | CYP3A4ABCC1MAPTPARP1ADRA1D | |
| SCHEMBL7705645 | 0.88 | PARP1 (0.45) | HRH3CYP3A4ABCC1PARP1ADRA1D |
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 |