Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | ABCC1 | P33527 | 2/20 | 0.44 |
| ▸ | PARP1 | P09874 | 11/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.39 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | BTK | Q06187 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7708467 | 0.96 | CYP3A4 (0.42) | CYP3A4ABCC1PARP1HTR1ASLC6A4 | |
| SCHEMBL7706360 | 0.91 | CYP3A4 (0.43) | CYP3A4ABCC1PARP1HTR1ASLC6A4 | |
| SCHEMBL7700403 | 0.91 | CYP3A4 (0.43) | CYP3A4ABCC1PARP1HTR1ASLC6A4 | |
| SCHEMBL7700417 | 0.91 | CYP2C9 (0.48) | CYP3A4ABCC1PARP1HTR1ASLC6A4 | |
| SCHEMBL7700415 | 0.91 | CYP3A4 (0.45) | CYP3A4ABCC1PARP1HTR1ASLC6A4 | |
| SCHEMBL7708429 | 0.91 | CYP3A4 (0.43) | CYP3A4ABCC1PARP1HTR1ASLC6A4 | |
| SCHEMBL7708443 | 0.88 | KCNH2 (0.48) | CYP3A4ABCC1PARP1SLC6A4 | |
| SCHEMBL7702682 | 0.88 | SIGMAR1 (0.48) | CYP3A4ABCC1PARP1HTR1A | |
| SCHEMBL5621724 | 0.88 | CYP3A4 (0.44) | CYP3A4ABCC1PARP1HTR1A | |
| SCHEMBL7700428 | 0.87 | CYP3A4 (0.41) | CYP3A4ABCC1PARP1HTR1ASLC6A4 |
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 |