Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRCP | P42785 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | PNMT | P11086 | 2/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.32 |
| ▸ | HTR7 | P34969 | 2/20 | 0.32 |
| ▸ | HTR6 | P50406 | 2/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.31 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16731021 | 0.90 | PRCP (0.41) | PRCPHSP90AA1HSP90AB1PNMTCYP11B1 | |
| SCHEMBL16730831 | 0.82 | CYP11B1 (0.39) | HSP90AA1HSP90AB1IDO1CYP11B1CYP11B2 | |
| SCHEMBL16730944 | 0.81 | CYP11B1 (0.41) | HSP90AA1HSP90AB1IDO1CYP11B1CYP11B2 | |
| SCHEMBL20170503 | 0.74 | PRCP (0.51) | PRCPIDO1PNMTHRH3 | |
| SCHEMBL16730894 | 0.70 | KCNH2 (0.37) | HSP90AA1HSP90AB1CYP11B1CYP11B2HTR7 | |
| SCHEMBL16730963 | 0.69 | ASIC3 (0.44) | CYP11B1CYP11B2 | |
| SCHEMBL16730822 | 0.66 | ABHD6 (0.39) | IDO1CYP11B1CYP11B2SCN9A | |
| SCHEMBL16730943 | 0.65 | CYP11B1 (0.47) | IDO1CYP11B1CYP11B2P2RX7HTR7 | |
| SCHEMBL26548216 | 0.65 | PRCP (0.60) | PRCPPNMTHTR6IRAK4 | |
| SCHEMBL16730958 | 0.64 | HTR2C (0.38) | CYP11B1CYP11B2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3068391-B1 | ARYL LINKED IMIDAZOLE AND TRIAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG | MERCK SHARP & DOHME (US) | 2018-05-23 | — | — | EP | disclosed |