Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | FAAH | O00519 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.45 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.45 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1633895 | 0.88 | KDM4E (0.51) | ALDH1A1LMNAHTTMAPK1CYP3A4 | |
| SCHEMBL1703908 | 0.84 | ALDH1A1 (0.43) | ALDH1A1LMNAHPGDHTTCYP2D6 | |
| SCHEMBL14813579 | 0.78 | GAA (0.50) | ALDH1A1LMNACYP3A4CYP2D6MEN1 | |
| SCHEMBL2007650 | 0.77 | POLB (0.39) | ALDH1A1LMNAMAPK1CYP3A4CYP2D6 | |
| SCHEMBL5619307 | 0.77 | OPRM1 (0.40) | ALDH1A1CYP2D6SMN1; SMN2NPC1 | |
| SCHEMBL1188920 | 0.75 | MEN1 (0.48) | ALDH1A1HTTMEN1KMT2AKDM4E | |
| SCHEMBL1631552 | 0.74 | CHRM3 (0.40) | KCNH2CHRM2CHRM3 | |
| SCHEMBL1704166 | 0.74 | KDM4E (0.40) | ALDH1A1LMNAMAPTMEN1KMT2A | |
| SCHEMBL3495126 | 0.73 | LMNA (0.44) | ALDH1A1LMNAMEN1KMT2AKDM4E | |
| SCHEMBL31198934 | 0.72 | SIGMAR1 (0.75) | ALDH1A1LMNAHPGDHTTMAPK1 |
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 |