Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.45 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.42 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 4/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.41 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.41 |
| ▸ | HTR1D | P28221 | 1/20 | 0.41 |
| ▸ | HTR1B | P28222 | 1/20 | 0.41 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | SMYD2 | Q9NRG4 | 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 | |
|---|---|---|---|---|
| SCHEMBL7702682 | 0.96 | SIGMAR1 (0.48) | HRH3SIGMAR1PARP1KCNH2GRM2 | |
| SCHEMBL5621205 | 0.90 | CHKA (0.41) | PARP1CYP3A4ABCC1 | |
| SCHEMBL7706387 | 0.90 | HRH3 (0.43) | HRH3PARP1GRM2ADRA1DADRA1A | |
| SCHEMBL7708467 | 0.89 | CYP3A4 (0.42) | PARP1HTR1ACYP3A4ABCC1 | |
| SCHEMBL7705637 | 0.88 | CYP3A4 (0.41) | PARP1GRM2HTR1AADRA1DADRA1A | |
| SCHEMBL7702571 | 0.88 | CYP3A4 (0.45) | SIGMAR1PARP1GRM2HTR1AHTR1D | |
| SCHEMBL7700428 | 0.88 | CYP3A4 (0.41) | PARP1HTR1ACYP3A4ABCC1 | |
| SCHEMBL7706393 | 0.88 | CYP3A4 (0.43) | SIGMAR1PARP1GRM2HTR1AADRA1D | |
| SCHEMBL5621653 | 0.87 | PARP1 (0.61) | PARP1 | |
| SCHEMBL5621362 | 0.86 | CYP3A4 (0.42) | PARP1HTR1AHTR1DHTR1BCYP3A4 |
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 |