Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRL1 | P41146 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | REN | P00797 | 3/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | DRD4 | P21917 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.31 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.31 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.31 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7999343 | 0.88 | CYP2D6 (0.32) | HTTPARP1PARP2CYP2D6CYP2C9 | |
| SCHEMBL13376330 | 0.81 | ALDH1A1 (0.38) | HTTCYP2D6CYP2C9CYP2C19REN | |
| SCHEMBL13618141 | 0.80 | HTR2A (0.40) | OPRL1HTR1AHTR2B | |
| SCHEMBL8001013 | 0.77 | CACNA1G (0.48) | CACNA1GCACNA1HCACNA1I | |
| SCHEMBL8264266 | 0.75 | HTT (0.38) | HTTPARP1PARP2CYP2D6CYP2C9 | |
| SCHEMBL18509004 | 0.74 | ALDH1A1 (0.34) | HTTPARP1PARP2CYP2D6CYP2C9 | |
| SCHEMBL8265892 | 0.67 | ICMT (0.44) | HTTREN | |
| SCHEMBL1518807 | 0.67 | REN (0.45) | HTTREN | |
| SCHEMBL8250365 | 0.66 | CYP2C9 (0.37) | HTTPARP1PARP2CYP2D6CYP2C9 | |
| SCHEMBL8235627 | 0.66 | CYP2C9 (0.41) | OPRL1HTTPARP1PARP2CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009140769-A1 | 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS | MERCK FROSST CANADA LTD. (CA) | 2009-11-26 | — | — | WO | disclosed |
| WO-2009135299-A1 | 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS | MERCK FROSST CANADA LTD. (CA) | 2009-11-12 | — | — | WO | disclosed |
| EP-1833816-B1 | SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS | NOVARTIS AG (CH) | 2009-11-11 | — | — | EP | disclosed |