Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MC5R | P33032 | 6/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.59 |
| ▸ | MC4R | P32245 | 5/20 | 0.48 |
| ▸ | MC3R | P41968 | 3/20 | 0.48 |
| ▸ | MC1R | Q01726 | 2/20 | 0.48 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | PLG | P00747 | 2/20 | 0.41 |
| ▸ | KLK1 | P06870 | 2/20 | 0.41 |
| ▸ | KLK6 | Q92876 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4847363 | 0.85 | ROCK1 (0.49) | MC5RMAPK1ASIC3HTR2ACYP2A6 | |
| SCHEMBL29484446 | 0.83 | CYP1A2 (0.58) | HTR2ACYP1A2CYP2C19CYP2C9CYP2D6 | |
| SCHEMBL42223 | 0.83 | CYP2A6 (0.60) | MC5RMC4RMC3RASIC3HTR2A | |
| SCHEMBL110689 | 0.83 | CYP1A2 (0.58) | HTR2ACYP1A2CYP2C19CYP2C9CYP2D6 | |
| SCHEMBL29484442 | 0.83 | CYP2A6 (0.60) | MC5RMC4RMC3RASIC3HTR2A | |
| Bromide SCHEMBL31513720 | 0.81 | ASIC3 (0.58) | MC5RMC4RMC3RASIC3HTR2A | |
| Bromide SCHEMBL22401521 | 0.81 | CYP1A2 (0.56) | HTR2ACYP1A2CYP2C19CYP2C9CYP2D6 | |
| SCHEMBL20593911 | 0.81 | CYP1A2 (0.56) | HTR2ACYP1A2CYP2C19CYP2C9CYP2D6 | |
| Hydrochloric Acid SCHEMBL1922860 | 0.81 | CYP1A2 (0.56) | HTR2ACYP1A2CYP2C19CYP2C9CYP2D6 | |
| Hydrochloric Acid SCHEMBL3665862 | 0.81 | CYP1A2 (0.56) | HTR2ACYP1A2CYP2C19CYP2C9CYP2D6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1615890-A1 | PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION | WARNER-LAMBERT COMPANY (US) | 2006-01-18 | — | — | EP | disclosed |
| WO-2004089903-A1 | PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION | WARNER-LAMBERT COMPANY LLC (US) | 2004-10-21 | — | — | WO | disclosed |