Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 5/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.35 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.35 |
| ▸ | TDP2 | O95551 | 1/20 | 0.34 |
| ▸ | NSD2 | O96028 | 1/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.34 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1812109 | 1.00 | KDM1A (0.40) | KDM1AMAOAMAOBNFE2L2ALDH1A1 | |
| SCHEMBL13680813 | 0.82 | KDM1A (0.40) | KDM1AMAOAMAOBNFE2L2ALDH1A1 | |
| SCHEMBL20535018 | 0.78 | — | — | |
| SCHEMBL30802510 | 0.78 | TOP1 (0.39) | NFE2L2ALDH1A1L3MBTL1 | |
| SCHEMBL29157725 | 0.78 | TOP1 (0.39) | NFE2L2ALDH1A1L3MBTL1 | |
| SCHEMBL22326459 | 0.77 | KDM1A (0.46) | KDM1AMAOAMAOBKDM4E | |
| SCHEMBL11744380 | 0.77 | ALDH1A1 (0.38) | ALDH1A1L3MBTL1TRIM24TRIM33TDP2 | |
| SCHEMBL31064603 | 0.77 | KDM1A (0.51) | KDM1AMAOAMAOBALDH1A1L3MBTL1 | |
| SCHEMBL3904765 | 0.76 | DPP4 (0.42) | TDP2NSD2ABL1PLCG1CES1 | |
| SCHEMBL16215860 | 0.76 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022210479-A1 | USE OF AZEPANE DERIVATIVE FOR TREATMENT, AMELIORATION OR PREVENTION OF κ-OPIOID RECEPTOR-RELATED DISEASES | 日本ケミファ株式会社 | 2022-10-06 | — | — | WO | disclosed |
| CN-114761082-A | Azepane derivatives | 日本化学药品株式会社 | 2022-07-15 | — | — | CN | disclosed |