Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 13/20 | 0.55 |
| ▸ | PKLR | P30613 | 7/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | USP9X | Q93008 | 3/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL16004016 | 0.89 | PKM (0.43) | PKMPKLRNPC1RAB9ALMNA | |
| SCHEMBL16004228 | 0.89 | PKM (0.52) | PKMPKLRNPC1RAB9ALMNA | |
| SCHEMBL16004325 | 0.87 | RORC (0.44) | PKMPKLRNPC1RAB9ALMNA | |
| SCHEMBL16004098 | 0.86 | PKM (0.50) | PKMPKLRUSP9XGAASMN1; SMN2 | |
| SCHEMBL16004327 | 0.84 | PKM (0.51) | PKMPKLRNPC1RAB9ALMNA | |
| SCHEMBL16004161 | 0.82 | MAPK1 (0.47) | PKMRAB9ASMN1; SMN2MEN1ALDH1A1 | |
| SCHEMBL16004256 | 0.82 | L3MBTL1 (0.42) | RAB9ALMNAHTTGAASMN1; SMN2 | |
| SCHEMBL16004100 | 0.82 | EBP (0.44) | MEN1ALDH1A1KMT2A | |
| SCHEMBL16004259 | 0.81 | TSHR (0.49) | PKMLMNAHTTSMN1; SMN2MEN1 | |
| SCHEMBL16004019 | 0.80 | PKM (0.44) | PKMPKLRLMNASMN1; SMN2MEN1 |
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 |