Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.67 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.67 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.67 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.67 |
| ▸ | LMNA | P02545 | 3/20 | 0.62 |
| ▸ | MAPT | P10636 | 2/20 | 0.62 |
| ▸ | GAA | P10253 | 1/20 | 0.62 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | MEN1 | O00255 | 3/20 | 0.61 |
| ▸ | GLA | P06280 | 1/20 | 0.61 |
| ▸ | PKM | P14618 | 1/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL7310126 | 0.85 | CYP1A2 (0.52) | CYP1A2CYP2C19KDM4ECYP3A4CYP2D6 | |
| SCHEMBL7313251 | 0.84 | KDM4E (0.77) | CYP2C19KDM4ECYP2C9LMNAALDH1A1 | |
| SCHEMBL7312271 | 0.82 | LMNA (0.81) | CYP1A2CYP2C19KDM4ECYP3A4CYP2D6 | |
| SCHEMBL20981253 | 0.81 | IDO1 (0.59) | KDM4EL3MBTL1ALDH1A1 | |
| SCHEMBL14119792 | 0.81 | ALDH1A1 (0.82) | CYP1A2CYP2C19KDM4ELMNAMAPT | |
| SCHEMBL7457778 | 0.81 | LMNA (0.66) | CYP1A2CYP2C19KDM4ECYP3A4CYP2D6 | |
| SCHEMBL15919632 | 0.79 | LMNA (0.64) | CYP1A2CYP2C19KDM4ECYP3A4CYP2D6 | |
| SCHEMBL3435126 | 0.79 | ALOX5 (0.63) | LMNAGAAKMT2AALDH1A1MEN1 | |
| SCHEMBL7304587 | 0.78 | KDM4E (0.68) | CYP2C19KDM4ECYP2C9LMNAMAPT | |
| SCHEMBL11179944 | 0.78 | ALDH1A1 (0.96) | CYP1A2CYP2C19LMNAMAPTKMT2A |
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 |