Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 5/20 | 0.47 |
| ▸ | PKLR | P30613 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | RORC | P51449 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | GPR142 | Q7Z601 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16004098 | 0.91 | PKM (0.50) | PKMPKLRALDH1A1ATML3MBTL1 | |
| SCHEMBL16004231 | 0.88 | PKM (0.53) | PKMPKLRALDH1A1MAPTRORC | |
| SCHEMBL16004017 | 0.88 | PKM (0.44) | PKMPKLRALDH1A1RORCL3MBTL1 | |
| SCHEMBL16004333 | 0.87 | PKM (0.47) | PKMPKLRALDH1A1RORCL3MBTL1 | |
| SCHEMBL16004327 | 0.84 | PKM (0.51) | PKMPKLRALDH1A1RORCSMN1; SMN2 | |
| SCHEMBL16004230 | 0.84 | PKM (0.46) | PKMPKLRALDH1A1RORCL3MBTL1 | |
| SCHEMBL16004336 | 0.82 | PKM (0.52) | PKMPKLRALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL16004012 | 0.82 | NPC1 (0.41) | PKMPKLRALDH1A1RORCMAPK1 | |
| SCHEMBL16004255 | 0.79 | L3MBTL1 (0.44) | PKMPKLRMAPTRORCL3MBTL1 | |
| SCHEMBL16004016 | 0.79 | PKM (0.43) | PKMPKLRALDH1A1MAPTL3MBTL1 |
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-2014133414-A2 | HETEROCYCLIC TGR5 BILE ACID RECEPTOR AGONISTS, PHARMACEUTICAL COMPOSITION, METHODS FOR THE PRODUCTION AND USE THEREOF | АЛЛА ХЕМ ЛЛС (US) | 2014-09-04 | — | — | WO | disclosed |