Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TRIM24 | O15164 | 2/20 | 0.36 |
| ▸ | TRIM33 | Q9UPN9 | 2/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.33 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28486375 | 0.95 | ALDH1A1 (0.42) | ALDH1A1TRIM24TRIM33HDAC3HDAC4 | |
| SCHEMBL28477188 | 0.95 | ALDH1A1 (0.42) | ALDH1A1TRIM24TRIM33HDAC3HDAC4 | |
| SCHEMBL28486373 | 0.95 | ALDH1A1 (0.42) | ALDH1A1TRIM24TRIM33HDAC3HDAC4 | |
| SCHEMBL7791076 | 0.95 | ALDH1A1 (0.42) | ALDH1A1TRIM24TRIM33HDAC3HDAC4 | |
| SCHEMBL7786773 | 0.95 | ALDH1A1 (0.42) | ALDH1A1TRIM24TRIM33HDAC3HDAC4 | |
| SCHEMBL28477921 | 0.95 | ALDH1A1 (0.42) | ALDH1A1TRIM24TRIM33HDAC3HDAC4 | |
| SCHEMBL7786769 | 0.95 | ALDH1A1 (0.42) | ALDH1A1TRIM24TRIM33HDAC3HDAC4 | |
| SCHEMBL31506480 | 0.95 | ALDH1A1 (0.42) | ALDH1A1TRIM24TRIM33HDAC3HDAC4 | |
| SCHEMBL7791080 | 0.95 | ALDH1A1 (0.42) | ALDH1A1TRIM24TRIM33HDAC3HDAC4 | |
| SCHEMBL28473730 | 0.95 | ALDH1A1 (0.42) | ALDH1A1TRIM24TRIM33HDAC3HDAC4 |
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-116490160-A | A mixture containing 1, 2-alkanediol | 西姆莱斯股份公司 | 2023-07-25 | — | — | CN | disclosed |