Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.36 |
| ▸ | DNMT3A | Q9Y6K1 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | APP | P05067 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 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 | |
|---|---|---|---|---|
| SCHEMBL16719061 | 0.81 | CCR3 (0.43) | OPRM1OPRK1HSP90AA1MEN1KMT2A | |
| SCHEMBL18128801 | 0.81 | CCR3 (0.43) | OPRM1OPRK1HSP90AA1MEN1KMT2A | |
| SCHEMBL18134521 | 0.75 | LMNA (0.37) | OPRM1OPRK1HTR1ASLC6A4HSP90AA1 | |
| SCHEMBL16718979 | 0.75 | CYP11B2 (0.39) | CYP11B1CYP11B2 | |
| SCHEMBL16730950 | 0.72 | GRM5 (0.44) | CYP11B1CYP11B2ROCK2 | |
| SCHEMBL20170442 | 0.72 | GAA (0.33) | CYP11B1CYP11B2ROCK2GAAALDH1A1 | |
| SCHEMBL16720932 | 0.72 | RIPK1 (0.39) | ROCK2APPKDM4EALDH1A1 | |
| SCHEMBL16719039 | 0.71 | FKBP1A (0.42) | ROCK2 | |
| SCHEMBL16719031 | 0.70 | CCR3 (0.43) | HSP90AA1HSP90AB1MEN1KMT2AGAA | |
| SCHEMBL16719063 | 0.69 | GRM5 (0.42) | ROCK2 |
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 |