Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 8/20 | 0.52 |
| ▸ | PKLR | P30613 | 3/20 | 0.52 |
| ▸ | POLB | P06746 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16004230 | 0.89 | PKM (0.46) | PKMPKLRALDH1A1MAPK1LMNA | |
| SCHEMBL16004163 | 0.89 | PKM (0.49) | PKMPKLRPOLBMAPTALDH1A1 | |
| SCHEMBL16004333 | 0.87 | PKM (0.47) | PKMPKLRALDH1A1MAPK1LMNA | |
| SCHEMBL16004231 | 0.86 | PKM (0.53) | PKMPKLRPOLBMAPTALDH1A1 | |
| SCHEMBL16004099 | 0.85 | PKM (0.52) | PKMPKLRPOLBMAPTALDH1A1 | |
| SCHEMBL16004017 | 0.85 | PKM (0.44) | PKMPKLRPOLBALDH1A1MAPK1 | |
| SCHEMBL16004331 | 0.82 | PKM (0.47) | PKMPKLRPOLBMAPTALDH1A1 | |
| SCHEMBL16004012 | 0.82 | NPC1 (0.41) | PKMPKLRPOLBALDH1A1MAPK1 | |
| SCHEMBL16004261 | 0.81 | LMNA (0.48) | POLBMAPTALDH1A1MAPK1LMNA | |
| SCHEMBL16004327 | 0.80 | PKM (0.51) | PKMPKLRPOLBALDH1A1LMNA |
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 |