Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.53 |
| ▸ | ABAT | P80404 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MGLL | Q99685 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | MIF | P14174 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 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 | |
|---|---|---|---|---|
| Hydroquinone SCHEMBL50263 | 0.86 | TSHR (0.48) | ALDH1A1MGLLTSHRCYP3A4CYP1A2 | |
| 4-Vinylphenol SCHEMBL9330730 | 0.83 | ALDH1A1 (0.46) | ALDH1A1KDM4EMGLLTSHRCYP3A4 | |
| Benzaldehyde SCHEMBL28783678 | 0.83 | ALDH1A1 (0.50) | ALDH1A1KDM4EMGLLTSHRCYP3A4 | |
| 3-Hydroxybenzaldehyde SCHEMBL28783762 | 0.83 | CCNB2 (0.42) | ALDH1A1KDM4EMGLLTSHRCYP3A4 | |
| SCHEMBL49595 | 0.81 | ESR1 (0.52) | ALDH1A1MGLLTSHRCYP3A4TDP1 | |
| Resveratrol SCHEMBL19400145 | 0.81 | PTGS1 (0.59) | ALDH1A1KDM4ECYP3A4CYP1A2CYP2C9 | |
| SCHEMBL2898358 | 0.80 | ESR1 (0.44) | ALDH1A1MGLLTSHRCYP3A4TDP1 | |
| Methane SCHEMBL28842587 | 0.79 | ESR1 (0.42) | ALDH1A1MGLLTSHRCYP3A4TDP1 | |
| SCHEMBL11673770 | 0.79 | XDH (0.39) | ALDH1A1KDM4EMGLLTSHRCYP3A4 | |
| Hydroquinone SCHEMBL28109700 | 0.79 | ALDH1A1 (0.44) | ALDH5A1ABATALDH1A1MGLLTSHR |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107934948-A | Preparation method of graphene and graphene | 大连理工大学 | 2018-04-20 | — | — | CN | claimed |
| CN-114716952-B | Efficient structural adhesive for temporary bonding and application thereof | 华南理工大学 | 2024-01-05 | — | — | CN | disclosed |
| CN-114716952-A | High-efficiency structural adhesive for temporary bonding and application thereof | 华南理工大学 | 2022-07-08 | — | — | CN | disclosed |
| CN-107602847-B | Polyether polyol containing phosphorus and nitrogen, and preparation method and application thereof | 中国科学院福建物质结构研究所 | 2020-02-21 | — | — | CN | disclosed |
| CN-107501539-B | Aldehyde-functional polyether polyol copolymer and preparation method and application thereof | 中国科学院福建物质结构研究所 | 2019-12-24 | — | — | CN | disclosed |
| CN-107674193-B | Aldehyde functional polyether polyol and preparation method and application thereof | 中国科学院福建物质结构研究所 | 2019-12-20 | — | — | CN | disclosed |
| CN-107934948-A | Preparation method of graphene and graphene | 大连理工大学 | 2018-04-20 | — | — | CN | disclosed |