Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHPS | P49366 | 1/20 | 0.35 |
| ▸ | EDNRA | P25101 | 7/20 | 0.34 |
| ▸ | NPBWR1 | P48145 | 2/20 | 0.34 |
| ▸ | EDNRB | P24530 | 6/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | BRS3 | P32247 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8637899 | 0.93 | DHPS (0.43) | DHPSEDNRAEDNRB | |
| SCHEMBL8631708 | 0.88 | DHPS (0.42) | DHPSEDNRAEDNRBBRS3 | |
| SCHEMBL8635760 | 0.81 | DHPS (0.50) | DHPSEDNRAEDNRB | |
| SCHEMBL8638012 | 0.80 | DHPS (0.39) | DHPSEDNRAEDNRB | |
| SCHEMBL7851037 | 0.76 | DHPS (0.52) | DHPSNPBWR1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL8398732 | 0.68 | EDNRA (0.42) | DHPSEDNRAEDNRB | |
| SCHEMBL7850977 | 0.67 | DHPS (0.65) | DHPSADORA1TSHR | |
| SCHEMBL7842094 | 0.65 | ADORA1 (0.47) | CYP1A2CYP3A4CYP2C19ADORA1CYP2C9 | |
| SCHEMBL8398581 | 0.65 | NPBWR1 (0.35) | DHPSEDNRANPBWR1EDNRBADORA1 | |
| SCHEMBL7852059 | 0.64 | EDNRA (0.65) | DHPSEDNRAEDNRB |
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-5837708-A | CARDIOVASCULAR DISORDERS OF HYPERTENSION, ISCHEMIA, ANGINA PECTORIS AND VASOSPASMS | HOFFMANN-LA ROCHE INC. (US) | 1998-11-17 | — | — | US | disclosed |