Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | GHSR | Q92847 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 4/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CHKA | P35790 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1704763 | 0.88 | CYP4F2 (0.38) | ALDH1A1KDM4ESIGMAR1CYP2D6 | |
| SCHEMBL1705081 | 0.76 | MLNR (0.64) | CYP2D6MEN1KMT2A | |
| SCHEMBL377693 | 0.75 | RAB9A (0.40) | ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL377425 | 0.75 | RAB9A (0.40) | ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL377823 | 0.74 | LMNA (0.44) | ALDH1A1KDM4ESIGMAR1ATMMEN1 | |
| SCHEMBL377467 | 0.74 | LMNA (0.44) | ALDH1A1KDM4ESIGMAR1ATMMEN1 | |
| SCHEMBL4178390 | 0.74 | PTGDR2 (0.52) | — | |
| SCHEMBL3565835 | 0.73 | RAB9A (0.41) | ALDH1A1KDM4ESIGMAR1ATMMEN1 | |
| SCHEMBL377621 | 0.73 | CNR2 (0.36) | ALDH1A1KDM4EATMGAA | |
| SCHEMBL377502 | 0.72 | NR1H2 (0.36) | ALDH1A1KDM4EATMMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2441763-A1 | Benzylpiperazine derivatives useful for the treatment of gastrointestinal disorders | Glaxo Group Limited (GB) | 2012-04-18 | — | — | EP | disclosed |