Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 5/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | PKLR | P30613 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 5/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | USP9X | Q93008 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL16004330 | 0.90 | PKM (0.46) | PKMGAAUSP2PKLRLMNA | |
| SCHEMBL16004227 | 0.89 | PKM (0.43) | PKMGAAUSP2PKLRLMNA | |
| SCHEMBL16004327 | 0.87 | PKM (0.51) | PKMUSP2PKLRLMNASMN1; SMN2 | |
| SCHEMBL16004260 | 0.83 | CCR3 (0.50) | USP2LMNAMAPTALDH1A1KDM4E | |
| SCHEMBL16004019 | 0.83 | PKM (0.44) | PKMPKLRLMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL16004325 | 0.83 | RORC (0.44) | PKMPKLRLMNAMAPTSMN1; SMN2 | |
| SCHEMBL16004107 | 0.82 | PKM (0.45) | PKMPKLRLMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL16004164 | 0.79 | RORC (0.44) | PKMGAAPKLRLMNAMAPT | |
| SCHEMBL16004261 | 0.79 | LMNA (0.48) | LMNAMAPTSMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL16004017 | 0.79 | PKM (0.44) | PKMGAAPKLRLMNASMN1; SMN2 |
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 |