Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARD | Q03181 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 5/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 4/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.32 |
| ▸ | PDE5A | O76074 | 2/20 | 0.32 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.32 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 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 | |
|---|---|---|---|---|
| SCHEMBL6873571 | 0.91 | CYP19A1 (0.37) | PTGDR2CYP19A1CYP11B1CYP11B2KCNH2 | |
| SCHEMBL13552197 | 0.82 | PPARD (0.45) | PPARDPPARAMTNR1BMTNR1APTGDR2 | |
| SCHEMBL9883004 | 0.79 | PPARD (0.47) | PPARDPPARAMTNR1BMTNR1APTGDR2 | |
| SCHEMBL6876936 | 0.79 | PRSS1 (0.47) | — | |
| SCHEMBL6875629 | 0.78 | HRH1 (0.41) | PPARD | |
| SCHEMBL10051307 | 0.74 | SLC6A4 (0.39) | CYP11B1CYP11B2SLC6A4KCNH2LTB4R | |
| SCHEMBL6877955 | 0.74 | AR (0.37) | CNR1 | |
| SCHEMBL14046843 | 0.72 | BUB1 (0.37) | CNR1 | |
| SCHEMBL6872377 | 0.71 | PRSS1 (0.47) | — | |
| SCHEMBL29577607 | 0.71 | PTGDR2 (0.48) | PPARDPPARAPTGDR2CYP19A1CYP11B1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011050270-A2 | MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES | TRANZYME PHARMA, INC. (US) | 2011-04-28 | — | — | WO | disclosed |
| WO-2011050276-A1 | METHODS OF USING MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES | TRANZYME PHARMA, INC. (US) | 2011-04-28 | — | — | WO | disclosed |