Known targets — ChEMBL curated mechanism
CHRM1DRD2DRD3DRD4HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR2APDE3ASIGMAR1
The experimentally established mechanism targets of Diacetamide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.65 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TAS2R38 | P59533 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | THPO | P40225 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | MMP12 | P39900 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| Cadaverine Tartrate SCHEMBL30607501 | 0.82 | TSHR (0.59) | TP53CRBNALDH1A1TAS2R38KDM4E | |
| Cadaverine Tartrate SCHEMBL30607499 | 0.82 | TSHR (0.59) | TP53CRBNALDH1A1TAS2R38KDM4E | |
| Lactic Acid SCHEMBL27640508 | 0.82 | TP53 (0.65) | TP53ALDH1A1KDM4EMAPTTHRB | |
| Lactic Acid SCHEMBL27710699 | 0.81 | TP53 (0.85) | TP53ALDH1A1TSHRLMNA | |
| Lactic Acid SCHEMBL8948591 | 0.81 | TP53 (0.85) | TP53ALDH1A1TSHRLMNA | |
| Lactic Acid SCHEMBL1018571 | 0.81 | TP53 (0.85) | TP53ALDH1A1TSHRLMNA | |
| Lactic Acid SCHEMBL6943476 | 0.81 | TP53 (0.85) | TP53ALDH1A1TSHRLMNA | |
| Lactic Acid SCHEMBL6264768 | 0.81 | TP53 (0.85) | TP53ALDH1A1TSHRLMNA | |
| Lactic Acid SCHEMBL7778386 | 0.81 | TP53 (0.85) | TP53ALDH1A1TSHRLMNA | |
| D-Lactic Acid SCHEMBL14947 | 0.80 | — | — |
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-117119888-A | Formulation preparation | 先正达农作物保护股份公司 | 2023-11-24 | — | — | CN | disclosed |