Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
| ▸ | FBP1 | P09467 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28472160 | 1.00 | HSD17B10 (0.50) | HSD17B10TRPA1FBP1CYP1A2CYP2C9 | |
| SCHEMBL38655330 | 0.80 | LMNA (0.42) | ALDH1A1CES2CES1AKR1C3 | |
| SCHEMBL38655327 | 0.78 | FBP1 (0.53) | TRPA1FBP1CYP1A2CYP2C9PTGS2 | |
| SCHEMBL28470407 | 0.78 | CYP2A6 (0.50) | PTGS2ALDH1A1CES2CES1AKR1C3 | |
| SCHEMBL28470411 | 0.78 | CYP2A6 (0.50) | PTGS2ALDH1A1CES2CES1AKR1C3 | |
| SCHEMBL6333730 | 0.77 | HSD17B10 (0.54) | HSD17B10TRPA1FBP1CYP1A2CYP2C9 | |
| SCHEMBL567062 | 0.77 | ALDH1A1 (0.56) | FBP1ALDH1A1HTTAKR1C3AKR1C1 | |
| SCHEMBL567063 | 0.77 | ALDH1A1 (0.56) | FBP1ALDH1A1HTTAKR1C3AKR1C1 | |
| SCHEMBL6333729 | 0.77 | HSD17B10 (0.54) | HSD17B10TRPA1FBP1CYP1A2CYP2C9 | |
| SCHEMBL1552546 | 0.77 | ALDH1A1 (0.56) | FBP1ALDH1A1HTTAKR1C3AKR1C1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111840261-A | Deacetylase agonist and application thereof | 广州中医药大学(广州中医药研究院) | 2020-10-30 | — | — | CN | claimed |
| CN-109096211-B | Preparation method of polysubstituted triazole derivative | 华侨大学 | 2021-11-23 | — | — | CN | disclosed |
| CN-111840261-A | Deacetylase agonist and application thereof | 广州中医药大学(广州中医药研究院) | 2020-10-30 | — | — | CN | disclosed |
| CN-107641086-A | A kind of synthetic method of nitro compds hydrocarbon compound | 浙江工业大学 | 2018-01-30 | — | — | CN | disclosed |