Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | HCAR1 | Q9BXC0 | 3/20 | 0.38 |
| ▸ | TTR | P02766 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 3/20 | 0.35 |
| ▸ | CA1 | P00915 | 3/20 | 0.35 |
| ▸ | CA2 | P00918 | 3/20 | 0.35 |
| ▸ | CA7 | P43166 | 3/20 | 0.35 |
| ▸ | CA9 | Q16790 | 3/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.35 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | CA3 | P07451 | 2/20 | 0.34 |
| ▸ | CA4 | P22748 | 2/20 | 0.34 |
| ▸ | CA6 | P23280 | 2/20 | 0.34 |
| ▸ | CA5A | P35218 | 2/20 | 0.34 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL602329 | 0.80 | CA12 (0.38) | CA12CA1CA2CA9CA14 | |
| SCHEMBL856447 | 0.77 | APLNR (0.32) | LMNAKDM4EALDH1A1 | |
| SCHEMBL18464343 | 0.77 | ESR1 (0.54) | LMNAMAPK1SMN1; SMN2 | |
| SCHEMBL31385498 | 0.76 | MRGPRX4 (0.52) | LMNAMAPK1HTTRAB9ATTR | |
| SCHEMBL17197208 | 0.75 | NR1I2 (0.33) | — | |
| SCHEMBL2800941 | 0.73 | EPAS1 (0.36) | — | |
| SCHEMBL4129553 | 0.72 | LMNA (0.44) | LMNAMAPK1HTTRAB9AHCAR1 | |
| SCHEMBL602189 | 0.72 | STAT3 (0.37) | LMNAMAPK1HTTCA12CA1 | |
| SCHEMBL15164140 | 0.72 | KCNQ2 (0.35) | LMNAKDM4EALDH1A1 | |
| SCHEMBL15592425 | 0.72 | MAPK1 (0.41) | LMNAMAPK1HTTRAB9AHCAR1 |
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 |