Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 6/20 | 0.46 |
| ▸ | PKLR | P30613 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | RORC | P51449 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | HTR2C | P28335 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16004326 | 0.92 | PKM (0.46) | PKMPKLRALDH1A1TSHRCYP1A2 | |
| SCHEMBL16004015 | 0.88 | RORC (0.42) | PKMPKLRALDH1A1TSHRL3MBTL1 | |
| SCHEMBL16004107 | 0.88 | PKM (0.45) | PKMPKLRALDH1A1TSHRKMT2A | |
| SCHEMBL16004164 | 0.84 | RORC (0.44) | PKMPKLRALDH1A1TSHRKMT2A | |
| SCHEMBL16004335 | 0.83 | MEN1 (0.43) | PKMALDH1A1TSHRKMT2AGAA | |
| SCHEMBL16004162 | 0.82 | GAA (0.40) | ALDH1A1TSHRKMT2ARORCLMNA | |
| SCHEMBL16004338 | 0.82 | LMNA (0.39) | PKMPKLRALDH1A1KMT2AL3MBTL1 | |
| SCHEMBL16004262 | 0.82 | L3MBTL1 (0.45) | ALDH1A1TSHRCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL16004020 | 0.82 | PKM (0.40) | PKMPKLRALDH1A1KMT2AL3MBTL1 | |
| SCHEMBL16004228 | 0.81 | PKM (0.52) | PKMPKLRLMNAGAAKDM4E |
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 |