Known targets — ChEMBL curated mechanism
CHRM1DRD2DRD3DRD4HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR2APDE3ASIGMAR1
The experimentally established mechanism targets of E968. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.65 |
| ▸ | PDE4A | P27815 | 1/20 | 0.50 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Xylitol SCHEMBL6859096 | 0.92 | PDE4A (0.56) | TP53PDE4AOR51E2USP2SLCO1B1 | |
| Mannitol SCHEMBL22804492 | 0.89 | PDE4A (0.65) | TP53PDE4AOR51E2USP2SLCO1B1 | |
| Adonitol SCHEMBL27759312 | 0.89 | PDE4A (0.58) | TP53PDE4AOR51E2USP2SLCO1B1 | |
| Lactic Acid SCHEMBL28016953 | 0.85 | TP53 (0.69) | TP53PDE4AOR51E2TDP1TSHR | |
| Lactic Acid SCHEMBL8850838 | 0.85 | TP53 (0.69) | TP53PDE4AOR51E2USP2SLCO1B1 | |
| Lactic Acid SCHEMBL692985 | 0.85 | TP53 (0.69) | TP53PDE4AOR51E2USP2SLCO1B1 | |
| Mannitol SCHEMBL5794749 | 0.85 | PDE4A (0.60) | TP53PDE4AOR51E2USP2SLCO1B1 | |
| Lactic Acid SCHEMBL28421499 | 0.84 | — | — | |
| Lactic Acid SCHEMBL8961635 | 0.83 | PDE4A (0.71) | TP53PDE4AOR51E2USP2SLCO1B1 | |
| Sorbitol SCHEMBL8840893 | 0.83 | PDE4A (0.58) | TP53PDE4AOR51E2USP2SLCO1B1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106631779-B | Polyol esters and their use in processing halogenated vinyl polymers | 济南金昌树新材料科技有限公司 | 2020-07-14 | — | — | CN | disclosed |