Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | ACHE | P22303 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 7/20 | 0.47 |
| ▸ | NPC1 | O15118 | 6/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL25331916 | 1.00 | ALDH1A1 (0.53) | ALDH1A1KDM4EGAAACHEMAOB | |
| SCHEMBL25929191 | 0.81 | HDAC6 (0.42) | ALDH1A1KDM4EGAARAB9AMAPT | |
| SCHEMBL23657482 | 0.74 | ALDH1A1 (0.55) | ALDH1A1KDM4EGAAACHEMAOB | |
| SCHEMBL25927553 | 0.72 | HDAC1 (0.44) | ALDH1A1RAB9ANPC1SMN1; SMN2KMT2A | |
| SCHEMBL25927108 | 0.71 | RAB9A (0.42) | ALDH1A1KDM4EGAAACHEMAOB | |
| SCHEMBL25927861 | 0.69 | KMT2A (0.57) | ALDH1A1KDM4ERAB9ANPC1MAPT | |
| SCHEMBL9767724 | 0.68 | KMT2A (0.79) | KDM4EGAARAB9ANPC1MAPT | |
| SCHEMBL29923734 | 0.68 | TDP1 (0.70) | ALDH1A1KDM4EMAOBRAB9ANPC1 | |
| SCHEMBL28653479 | 0.68 | TDP1 (0.70) | ALDH1A1KDM4EMAOBRAB9ANPC1 | |
| SCHEMBL2117869 | 0.67 | PTPN1 (0.71) | ALDH1A1KDM4ERAB9ANPC1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-114437095-B | Heterocyclic compound, organic electroluminescent material and device | 上海八亿时空先进材料有限公司 | 2023-04-18 | — | — | CN | disclosed |
| CN-114437095-A | Heterocyclic compound, organic electroluminescent material and device | 上海八亿时空先进材料有限公司 | 2022-05-06 | — | — | CN | disclosed |