Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 6/20 | 0.40 |
| ▸ | PKLR | P30613 | 3/20 | 0.39 |
| ▸ | GPR142 | Q7Z601 | 1/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | RORC | P51449 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL16004333 | 0.87 | PKM (0.47) | NPC1RAB9APKMPKLRGPR142 | |
| SCHEMBL16004017 | 0.86 | PKM (0.44) | PKMPKLRGPR142ALDH1A1LMNA | |
| SCHEMBL16004257 | 0.85 | PKM (0.50) | PKMPKLRRIPK1MAOBGRM5 | |
| SCHEMBL16004261 | 0.84 | LMNA (0.48) | RAB9AALDH1A1MEN1LMNAMAPK1 | |
| SCHEMBL16004231 | 0.84 | PKM (0.53) | PKMPKLRALDH1A1MEN1LMNA | |
| SCHEMBL16004230 | 0.83 | PKM (0.46) | NPC1RAB9APKMPKLRGPR142 | |
| SCHEMBL16004338 | 0.82 | LMNA (0.39) | PKMPKLRRIPK1ALDH1A1NTRK1 | |
| SCHEMBL16004331 | 0.82 | PKM (0.47) | PKMPKLRGPR142ALDH1A1MAPK1 | |
| SCHEMBL16004255 | 0.82 | L3MBTL1 (0.44) | PKMPKLRGPR142NTRK1MEN1 | |
| SCHEMBL16004336 | 0.82 | PKM (0.52) | PKMPKLRALDH1A1MEN1LMNA |
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 |