Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | CNR2 | P34972 | 3/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.41 |
| ▸ | NR1H2 | P55055 | 3/20 | 0.40 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | PDE6A | P16499 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | MC4R | P32245 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2327078 | 0.82 | CYP2C19 (0.45) | CYP2C19TSHRCNR2SLC6A3SLC6A4 | |
| SCHEMBL2327182 | 0.82 | CYP2C19 (0.45) | CYP2C19TSHRCNR2SLC6A3SLC6A4 | |
| SCHEMBL13364046 | 0.81 | HSD11B1 (0.51) | CYP2C19TSHRCNR2SLC6A3NR1H2 | |
| SCHEMBL2324374 | 0.80 | CYP2C19 (0.43) | CYP2C19TSHRCNR2SLC6A3SLC6A4 | |
| SCHEMBL13364192 | 0.80 | GAA (0.48) | CYP2C19TSHRCNR2SLC6A4LMNA | |
| SCHEMBL10606137 | 0.78 | DPP4 (0.57) | SLC6A3SLC6A4SLC6A2LMNAOPRM1 | |
| SCHEMBL2323003 | 0.77 | EPHX2 (0.44) | CYP2C19TSHRCNR2SLC6A3NR1H2 | |
| SCHEMBL13364179 | 0.77 | CYP2C19 (0.40) | CYP2C19TSHRCNR2NR1H2NR1H3 | |
| SCHEMBL10776342 | 0.76 | CYP2C19 (0.51) | CYP2C19TSHRCNR2SLC6A3NR1H2 | |
| SCHEMBL3235304 | 0.74 | CYP2C19 (0.53) | CYP2C19TSHRCNR2SLC6A3NR1H2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2356113-A1 | HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS | Bayer Schering Pharma Aktiengesellschaft (DE) | 2011-08-17 | — | — | EP | disclosed |
| WO-2010054763-A1 | HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-05-20 | — | — | WO | disclosed |