Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 6/20 | 0.48 |
| ▸ | CTSA | P10619 | 5/20 | 0.41 |
| ▸ | PIM2 | Q9P1W9 | 3/20 | 0.41 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.39 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.39 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.39 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.39 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | GSK3A | P49840 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12097577 | 0.91 | GPBAR1 (0.52) | GPBAR1PIM2CD274GABRA1GABRG2 | |
| SCHEMBL12098541 | 0.81 | GPBAR1 (0.47) | GPBAR1PIM2PIM3MEN1GAA | |
| SCHEMBL12098278 | 0.81 | ALDH1A1 (0.43) | GPBAR1PIM2GABRA1GABRG2GABRB3 | |
| SCHEMBL12097486 | 0.80 | GPBAR1 (0.47) | GPBAR1PIM2PIM3 | |
| SCHEMBL16628667 | 0.78 | GSK3A (0.46) | GPBAR1PIM2KDM4CPIM3GSK3A | |
| SCHEMBL25153545 | 0.76 | GPBAR1 (0.50) | GPBAR1CTSAGABRA1KDM4CPIM3 | |
| SCHEMBL31019033 | 0.76 | GPBAR1 (0.50) | GPBAR1CTSAGABRA1KDM4CPIM3 | |
| SCHEMBL29694912 | 0.75 | GPBAR1 (0.49) | GPBAR1PIM2GABRA1GABRG2GABRB3 | |
| SCHEMBL24501461 | 0.75 | GPBAR1 (0.49) | GPBAR1PIM2GABRA1GABRG2GABRB3 | |
| SCHEMBL12097337 | 0.72 | LMNA (0.50) | GPBAR1PIM2PIM3MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2681194-B1 | 3-AMINO-PYRIDINES AS GPBAR1 AGONISTS | HOFFMANN LA ROCHE (CH) | 2015-04-15 | — | — | EP | disclosed |