Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | GLA | P06280 | 2/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | DAO | P14920 | 2/20 | 0.47 |
| ▸ | DDO | Q99489 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | KIF11 | P52732 | 2/20 | 0.44 |
| ▸ | EGFR | P00533 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | MPL | P40238 | 1/20 | 0.43 |
| ▸ | KDM5A | P29375 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8109985 | 0.89 | KDM4E (0.59) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL8581212 | 0.82 | KDM4E (0.66) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL2795205 | 0.80 | KDM4E (0.67) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL9393238 | 0.79 | KDM4E (0.47) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL2272868 | 0.79 | ALDH1A1 (0.59) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL31081977 | 0.79 | ALDH1A1 (0.59) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL9388988 | 0.77 | KDM4E (0.79) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL9392742 | 0.76 | DAO (0.52) | KDM4EALDH1A1HPGDDAODDO | |
| SCHEMBL9571854 | 0.76 | MEN1 (0.65) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL9155186 | 0.76 | ALDH1A1 (0.45) | KDM4EALDH1A1GLAGAAHPGD |
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-1994007500-A1 | 2,5-DIHYDRO-2,5-DIOXO-1H-AZEPINES AND 2,5-DIHYDRO-2-OXO-1H-AZEPINES AND THE USE THEREOF AS EXCITATORY AMINO ACID AND GLYCINE RECEPTOR ANTAGONISTS | WEBER ECKARD (US) | 1994-04-14 | — | — | WO | disclosed |