Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | VCP | P55072 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1978722 | 0.88 | ALDH1A1 (0.38) | ALDH1A1CYP2C19L3MBTL1CYP1A2CYP3A4 | |
| SCHEMBL14862611 | 0.80 | L3MBTL1 (0.43) | ALDH1A1CYP2C19L3MBTL1POLBTDP1 | |
| Hydrochloric Acid SCHEMBL3714238 | 0.78 | KIF11 (0.42) | ALDH1A1CYP2C19L3MBTL1KDM4ETDP1 | |
| SCHEMBL3717026 | 0.77 | ALDH1A1 (0.42) | ALDH1A1CYP2C19L3MBTL1KDM4EPOLB | |
| SCHEMBL602550 | 0.76 | ALDH1A1 (0.47) | ALDH1A1CYP2C19L3MBTL1KDM4EPOLB | |
| SCHEMBL9577266 | 0.74 | CYP3A4 (0.48) | ALDH1A1CYP2C19L3MBTL1POLBTDP1 | |
| SCHEMBL31649209 | 0.73 | ALDH1A1 (0.52) | ALDH1A1CYP2C19L3MBTL1KDM4EPOLB | |
| SCHEMBL7266587 | 0.73 | ALDH1A1 (0.52) | ALDH1A1CYP2C19L3MBTL1KDM4EPOLB | |
| SCHEMBL604009 | 0.72 | ALDH1A1 (0.48) | ALDH1A1CYP2C19L3MBTL1KDM4EPOLB | |
| SCHEMBL7268769 | 0.71 | ALDH1A1 (0.47) | ALDH1A1CYP2C19L3MBTL1KDM4EPOLB |
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-2396304-A1 | TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY | Exelixis, Inc. (US) | 2011-12-21 | — | — | EP | disclosed |
| 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 |