Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | ATM | Q13315 | 2/20 | 0.50 |
| ▸ | PARP1 | P09874 | 6/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.42 |
| ▸ | BTK | Q06187 | 4/20 | 0.41 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.41 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.41 |
| ▸ | WNT3A | P56704 | 1/20 | 0.41 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2588267 | 1.00 | ALDH1A1 (0.50) | ALDH1A1ATMPARP1GAANPSR1 | |
| SCHEMBL2592748 | 0.84 | HSD17B10 (0.47) | ALDH1A1ATMPARP1GAAGPR84 | |
| SCHEMBL1223596 | 0.80 | NR4A2 (0.61) | ALDH1A1ATMNR4A2NPC1 | |
| SCHEMBL29886596 | 0.80 | NR4A2 (0.61) | ALDH1A1ATMNR4A2NPC1 | |
| SCHEMBL3721316 | 0.78 | GPR84 (0.49) | ALDH1A1ATMGAANPSR1GPR84 | |
| SCHEMBL15836985 | 0.78 | TSHR (0.54) | ALDH1A1GAANR4A2 | |
| SCHEMBL3960635 | 0.75 | GPR84 (0.49) | ALDH1A1ATMGAANPSR1GPR84 | |
| SCHEMBL3995494 | 0.74 | GPR84 (0.51) | ALDH1A1GAAGPR84NR4A2CTNNB1 | |
| SCHEMBL15356576 | 0.74 | PBRM1 (0.56) | ALDH1A1ATMGAAGPR84NR4A2 | |
| SCHEMBL16339986 | 0.74 | ALDH1A1 (0.56) | ALDH1A1ATMPARP1GAANPSR1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117813095-A | VCP inhibitors for the treatment of amyotrophic lateral sclerosis | 弗朗西斯克里克研究所有限公司 | 2024-04-02 | — | — | CN | claimed |
| CN-117813095-A | VCP inhibitors for the treatment of amyotrophic lateral sclerosis | 弗朗西斯克里克研究所有限公司 | 2024-04-02 | — | — | CN | disclosed |
| CN-116947856-A | EZH2 inhibitor and preparation method and application thereof | 星希尔生物科技(上海)有限公司 | 2023-10-27 | — | — | CN | disclosed |
| CN-116768857-A | EZH2/HDAC double-target inhibitor and preparation method and medical application thereof | 中国药科大学 | 2023-09-19 | — | — | CN | disclosed |
| CN-112920176-B | Bifunctional compound capable of inducing PRC2 protein complex core subunit degradation, pharmaceutical composition and application | 四川大学华西医院 | 2022-11-04 | — | — | CN | disclosed |