Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | METAP2 | P50579 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | GPBAR1 | Q8TDU6 | 6/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13259058 | 0.85 | GPBAR1 (0.52) | GPBAR1ALDH1A1 | |
| SCHEMBL601863 | 0.80 | GPBAR1 (0.52) | GPBAR1 | |
| SCHEMBL13259044 | 0.78 | GPBAR1 (0.52) | GPBAR1 | |
| SCHEMBL13259977 | 0.78 | GPBAR1 (0.47) | METAP2RAB9ASMN1; SMN2KDM4ENPC1 | |
| SCHEMBL13259930 | 0.76 | GPBAR1 (0.55) | GPBAR1 | |
| SCHEMBL13259978 | 0.72 | GPBAR1 (0.41) | METAP2RAB9ASMN1; SMN2KDM4ENPC1 | |
| SCHEMBL13259016 | 0.70 | SMN1; SMN2 (0.42) | METAP2RAB9ASMN1; SMN2KDM4ENPC1 | |
| SCHEMBL13259060 | 0.70 | GPBAR1 (0.66) | GPBAR1 | |
| SCHEMBL603968 | 0.70 | GPBAR1 (0.53) | SMN1; SMN2GPBAR1 | |
| SCHEMBL13259063 | 0.70 | GPBAR1 (0.54) | GPBAR1 |
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-2010093845-A1 | TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY | EXELIXIS, INC. (US) | 2010-08-19 | — | — | WO | disclosed |