Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CASP4 | P49662 | 1/20 | 0.38 |
| ▸ | CASP5 | P51878 | 1/20 | 0.38 |
| ▸ | BTK | Q06187 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA4 | P22748 | 2/20 | 0.37 |
| ▸ | CA5A | P35218 | 2/20 | 0.37 |
| ▸ | CA7 | P43166 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | FLT3 | P36888 | 1/20 | 0.36 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7702657 | 0.96 | PARP1 (0.42) | PARP1CYP3A4ABCC1CASP1CASP4 | |
| SCHEMBL7708467 | 0.87 | CYP3A4 (0.42) | PARP1CYP3A4ABCC1BTKPIM1 | |
| SCHEMBL7702645 | 0.87 | PARP1 (0.52) | PARP1PIM1FLT3PIM3BRSK1 | |
| SCHEMBL7706393 | 0.87 | CYP3A4 (0.43) | PARP1CYP3A4ABCC1BTKHRH1 | |
| SCHEMBL7706387 | 0.87 | HRH3 (0.43) | PARP1CYP3A4ABCC1BTKAURKB | |
| SCHEMBL7705637 | 0.87 | CYP3A4 (0.41) | PARP1CYP3A4ABCC1BTKPIM1 | |
| SCHEMBL7700428 | 0.87 | CYP3A4 (0.41) | PARP1CYP3A4ABCC1BTKPIM1 | |
| SCHEMBL7702571 | 0.87 | CYP3A4 (0.45) | PARP1CYP3A4ABCC1BTKCYP2C9 | |
| SCHEMBL7700401 | 0.85 | HRH3 (0.48) | CYP3A4ABCC1HRH3 | |
| SCHEMBL7705476 | 0.84 | HRH3 (0.46) | PARP1CYP3A4ABCC1HRH3 |
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 |