Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNJ1 | P48048 | 17/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 16/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | ABCC1 | P33527 | 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 | |
|---|---|---|---|---|
| SCHEMBL7700401 | 0.96 | HRH3 (0.48) | KCNJ1KCNH2SIGMAR1HRH3CYP3A4 | |
| SCHEMBL7700409 | 0.87 | CYP3A4 (0.44) | CYP3A4ABCC1 | |
| SCHEMBL7706360 | 0.86 | CYP3A4 (0.43) | HRH3CYP3A4ABCC1 | |
| SCHEMBL7708429 | 0.86 | CYP3A4 (0.43) | CYP3A4ABCC1 | |
| SCHEMBL7700403 | 0.86 | CYP3A4 (0.43) | CYP3A4ABCC1 | |
| SCHEMBL7700417 | 0.86 | CYP2C9 (0.48) | SIGMAR1CYP3A4ABCC1 | |
| SCHEMBL7700415 | 0.86 | CYP3A4 (0.45) | SIGMAR1CYP3A4ABCC1 | |
| SCHEMBL5621658 | 0.86 | PARP1 (0.56) | KCNJ1KCNH2 | |
| SCHEMBL7702657 | 0.84 | PARP1 (0.42) | KCNH2CYP3A4ABCC1 | |
| SCHEMBL7708443 | 0.84 | KCNH2 (0.48) | KCNJ1KCNH2SIGMAR1CYP3A4ABCC1 |
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 |