Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.58 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | GSK3B | P49841 | 1/20 | 0.45 |
| ▸ | ANPEP | P15144 | 1/20 | 0.44 |
| ▸ | MME | P08473 | 1/20 | 0.44 |
| ▸ | ACE | P12821 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7306271 | 1.00 | KDM4E (0.59) | KDM4EKMT2AL3MBTL1ALDH1A1HPGD | |
| SCHEMBL7300480 | 0.87 | KDM4E (0.57) | KDM4EKMT2AL3MBTL1ALDH1A1HPGD | |
| SCHEMBL26181912 | 0.83 | ALDH1A1 (0.62) | KDM4EKMT2AL3MBTL1ALDH1A1HPGD | |
| SCHEMBL17880836 | 0.83 | KDM4E (0.73) | KDM4EKMT2AL3MBTL1ALDH1A1HPGD | |
| SCHEMBL14306608 | 0.83 | KDM4E (0.73) | KDM4EKMT2AL3MBTL1ALDH1A1HPGD | |
| SCHEMBL30374739 | 0.81 | KDM4E (0.60) | KDM4EKMT2AL3MBTL1ALDH1A1HPGD | |
| SCHEMBL7307219 | 0.80 | CASP3 (0.48) | KMT2AALDH1A1HPGDCYP2C19NPC1 | |
| SCHEMBL7297799 | 0.80 | CASP3 (0.48) | KMT2AALDH1A1HPGDCYP2C19NPC1 | |
| SCHEMBL799890 | 0.80 | KDM4E (0.64) | KDM4EKMT2AL3MBTL1ALDH1A1HPGD | |
| SCHEMBL7305558 | 0.79 | KDM4E (0.57) | KDM4EKMT2AL3MBTL1ALDH1A1HPGD |
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-0520336-A2 | Aldehyde derivatives and their use as calpain inhibitors | FUJIREBIO Inc. (JP) | 1992-12-30 | — | — | EP | disclosed |