Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.42 |
| ▸ | REN | P00797 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 2/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.34 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.34 |
| ▸ | PRKD1 | Q15139 | 1/20 | 0.34 |
| ▸ | PRKD2 | Q9BZL6 | 1/20 | 0.34 |
| ▸ | CCNK | O75909 | 1/20 | 0.32 |
| ▸ | CDK7 | P50613 | 1/20 | 0.32 |
| ▸ | CCNH | P51946 | 1/20 | 0.32 |
| ▸ | MNAT1 | P51948 | 1/20 | 0.32 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.32 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7874302 | 0.71 | REN (0.52) | KCNH2RENGABRA1GABRG2GABRB3 | |
| SCHEMBL6042859 | 0.63 | KDM1A (0.47) | HTR2A | |
| SCHEMBL10964208 | 0.61 | SLC18A3 (0.54) | HTR2ADRD2MAPT | |
| SCHEMBL5923778 | 0.61 | SLC18A3 (0.54) | HTR2ADRD2MAPT | |
| SCHEMBL10964458 | 0.61 | SLC18A3 (0.54) | HTR2ADRD2MAPT | |
| SCHEMBL10964453 | 0.61 | SLC18A3 (0.54) | HTR2ADRD2MAPT | |
| SCHEMBL8273744 | 0.61 | SLC18A3 (0.54) | HTR2ADRD2MAPT | |
| Hydrochloric Acid SCHEMBL193499 | 0.59 | NR1H4 (0.44) | KDM4EALDH1A1TP53MAPTHPGD | |
| SCHEMBL18790802 | 0.57 | GRIN2D (0.40) | HTR2AKDM4EALDH1A1MAPTHPGD | |
| SCHEMBL11242027 | 0.57 | SLC6A2 (0.45) | HTR2AL3MBTL1 |
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 |