Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.63 |
| ▸ | GAA | P10253 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.59 |
| ▸ | LMNA | P02545 | 3/20 | 0.59 |
| ▸ | MEN1 | O00255 | 3/20 | 0.59 |
| ▸ | MAPT | P10636 | 5/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | RECQL | P46063 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | CTSB | P07858 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL17651460 | 1.00 | ALDH1A1 (0.63) | ALDH1A1CYP1A2CYP2C9CYP2C19GAA | |
| SCHEMBL29931806 | 0.84 | ALDH1A1 (0.66) | ALDH1A1CYP1A2CYP2C9CYP2C19GAA | |
| SCHEMBL5098630 | 0.84 | ALDH1A1 (0.66) | ALDH1A1CYP1A2CYP2C9CYP2C19GAA | |
| SCHEMBL8894385 | 0.82 | ALDH1A1 (0.71) | ALDH1A1CYP1A2CYP2C9CYP2C19GAA | |
| SCHEMBL3984049 | 0.82 | CYP1A2 (0.54) | ALDH1A1CYP1A2CYP2C9CYP2C19GAA | |
| SCHEMBL616143 | 0.82 | ALDH1A1 (0.63) | ALDH1A1CYP1A2CYP2C9CYP2C19GAA | |
| SCHEMBL3723155 | 0.82 | CYP1A2 (0.54) | ALDH1A1CYP1A2CYP2C9CYP2C19GAA | |
| SCHEMBL31226524 | 0.82 | CYP1A2 (0.54) | ALDH1A1CYP1A2CYP2C9CYP2C19KMT2A | |
| SCHEMBL29512598 | 0.81 | ALDH1A1 (0.61) | ALDH1A1CYP1A2CYP2C9CYP2C19GAA | |
| SCHEMBL29512807 | 0.79 | ALDH1A1 (0.64) | ALDH1A1CYP1A2CYP2C9CYP2C19GAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116829550-A | Pyrimidine-2-ylsulfonamide derivatives | 豪夫迈·罗氏有限公司 | 2023-09-29 | — | — | CN | disclosed |
| CN-107001744-B | Low molecular weight graft polymers for scale inhibitors | 赫尔克里士有限公司 | 2023-06-16 | — | — | CN | disclosed |