Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | REN | P00797 | 3/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.56 |
| ▸ | CHRNB2 | P17787 | 5/20 | 0.48 |
| ▸ | CHRNA4 | P43681 | 5/20 | 0.48 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.36 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | MPO | P05164 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 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 | |
|---|---|---|---|---|
| SCHEMBL10202595 | 0.72 | REN (1.00) | RENCYP3A4KCNH2CHRNB2CHRNA4 | |
| SCHEMBL2882600 | 0.67 | SLC6A4 (0.44) | KCNH2CHRNB2CHRNA4HTR2ASLC6A2 | |
| SCHEMBL27654682 | 0.67 | SLC6A4 (0.44) | KCNH2CHRNB2CHRNA4HTR2ASLC6A2 | |
| SCHEMBL7873165 | 0.66 | REN (0.62) | RENCYP3A4KCNH2CHRNB2CHRNA4 | |
| SCHEMBL23982537 | 0.65 | CHRNB2 (0.46) | RENCYP3A4KCNH2CHRNB2CHRNA4 | |
| SCHEMBL5306222 | 0.65 | NOTUM (0.53) | RENCYP3A4KCNH2CHRNB2CHRNA4 | |
| SCHEMBL3903970 | 0.65 | GRK2 (0.44) | CYP3A4KCNH2HTR2ASLC6A2SLC6A4 | |
| SCHEMBL4506607 | 0.64 | SLC6A2 (0.46) | RENCYP3A4KCNH2SLC6A2SLC6A4 | |
| SCHEMBL3079478 | 0.64 | SLC6A2 (0.49) | SLC6A2SLC6A4SLC6A3CYP2D6MPO | |
| SCHEMBL20997272 | 0.62 | HTR2A (0.35) | HTR2ACHRM1 |
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-2010114978-A1 | RENIN INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2010-10-07 | — | — | WO | disclosed |