Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | ABCC1 | P33527 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | PARP1 | P09874 | 2/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 6/20 | 0.42 |
| ▸ | TMEM97 | Q5BJF2 | 3/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.42 |
| ▸ | HTR2C | P28335 | 2/20 | 0.42 |
| ▸ | HTR1D | P28221 | 2/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | HTR7 | P34969 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | GRM2 | Q14416 | 3/20 | 0.39 |
| ▸ | HTR1A | P08908 | 2/20 | 0.39 |
| ▸ | DRD2 | P14416 | 2/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7700417 | 0.96 | CYP2C9 (0.48) | CYP3A4ABCC1CYP2C9PARP1HTR2A | |
| SCHEMBL7708467 | 0.91 | CYP3A4 (0.42) | CYP3A4ABCC1PARP1SLC6A4HTR1A | |
| SCHEMBL7705637 | 0.91 | CYP3A4 (0.41) | CYP3A4ABCC1PARP1SLC6A4GRM2 | |
| SCHEMBL7706393 | 0.91 | CYP3A4 (0.43) | CYP3A4ABCC1PARP1HTR2ATMEM97 | |
| SCHEMBL7700428 | 0.91 | CYP3A4 (0.41) | CYP3A4ABCC1PARP1SLC6A4HTR1A | |
| SCHEMBL7706387 | 0.91 | HRH3 (0.43) | CYP3A4ABCC1CYP2C9PARP1GRM2 | |
| SCHEMBL5621743 | 0.90 | CYP3A4 (0.41) | CYP3A4ABCC1PARP1HTR2ASIGMAR1 | |
| SCHEMBL7705645 | 0.88 | PARP1 (0.45) | CYP3A4ABCC1PARP1HTR2ATMEM97 | |
| SCHEMBL7705476 | 0.88 | HRH3 (0.46) | CYP3A4ABCC1PARP1HTR2ASIGMAR1 | |
| SCHEMBL7700401 | 0.87 | HRH3 (0.48) | CYP3A4ABCC1SIGMAR1 |
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 |