Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 14/20 | 0.56 |
| ▸ | NOS2 | P35228 | 4/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 8/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.42 |
| ▸ | CASR | P41180 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | HTR2C | P28335 | 2/20 | 0.40 |
| ▸ | HRH1 | P35367 | 2/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.40 |
| ▸ | DRD3 | P35462 | 2/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.40 |
| ▸ | HTR2B | P41595 | 2/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL498922 | 0.89 | SLC6A4 (0.52) | SLC6A4NOS2SLC6A2CYP1A2CYP3A4 | |
| SCHEMBL499203 | 0.89 | SLC6A4 (0.52) | SLC6A4NOS2SLC6A2CYP1A2CYP3A4 | |
| SCHEMBL4755348 | 0.88 | SLC6A4 (0.43) | SLC6A4NOS2CYP2D6CASRIDO1 | |
| SCHEMBL4755992 | 0.81 | NOS2 (0.43) | SLC6A4NOS2SLC6A2CYP2D6KCNH2 | |
| SCHEMBL499694 | 0.78 | REN (0.48) | SLC6A4CYP1A2CYP3A4TSHRTP53 | |
| SCHEMBL499635 | 0.78 | REN (0.46) | SLC6A4CYP2D6CYP1A2CYP3A4TSHR | |
| SCHEMBL499256 | 0.77 | REN (0.44) | SLC6A4CYP1A2CYP3A4TSHRTP53 | |
| SCHEMBL4754043 | 0.77 | SLC6A4 (0.40) | SLC6A4NOS2IDO1CYP1A2CYP3A4 | |
| SCHEMBL4754003 | 0.76 | SLC6A4 (0.44) | SLC6A4CASRIDO1CYP1A2TSHR | |
| SCHEMBL14691112 | 0.72 | CASR (0.52) | CASRLMNAKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008156816-A2 | RENIN INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2008-12-24 | — | — | WO | disclosed |