Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | DRD4 | P21917 | 4/20 | 0.47 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | KDM1A | O60341 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 2/20 | 0.38 |
| ▸ | TNK1 | Q13470 | 2/20 | 0.38 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.38 |
| ▸ | PDE2A | O00408 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11958314 | 0.94 | DRD4 (0.45) | ALDH1A1KDM4EHPGDALOX12DRD4 | |
| SCHEMBL11957997 | 0.92 | ALDH1A1 (0.44) | ALDH1A1KDM4EHPGDALOX12DRD4 | |
| SCHEMBL11958313 | 0.92 | CNR1 (0.42) | ALDH1A1KDM4EHPGDALOX12DRD4 | |
| SCHEMBL11980190 | 0.92 | CNR1 (0.42) | ALDH1A1KDM4EHPGDALOX12DRD4 | |
| SCHEMBL11979781 | 0.87 | CNR1 (0.47) | ALDH1A1KDM4EHPGDALOX12DRD4 | |
| SCHEMBL11979760 | 0.87 | CNR1 (0.47) | ALDH1A1KDM4EHPGDALOX12DRD4 | |
| SCHEMBL11958315 | 0.87 | CNR1 (0.47) | ALDH1A1KDM4EHPGDALOX12DRD4 | |
| SCHEMBL13877764 | 0.86 | KDM1A (0.42) | ALDH1A1KDM4EHPGDALOX12DRD4 | |
| SCHEMBL13134643 | 0.86 | DRD2 (0.43) | ALDH1A1DRD4SIGMAR1CCR2 | |
| SCHEMBL14787574 | 0.86 | CNR1 (0.40) | ALDH1A1KDM4EHPGDALOX12DRD4 |
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-7700597-B2 | Substituted piperazines as CB1 antagonists | SCHERING CORPORATION (US) | 2010-04-20 | — | — | US | disclosed |