Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
| ▸ | MMP3 | P08254 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | MMP13 | P45452 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Dioxane SCHEMBL4302386 | 0.97 | CYP2C19 (0.46) | CYP2C19ALDH1A1TDP1ACHECA2 | |
| Fluoride SCHEMBL5203462 | 0.88 | CYP2C19 (0.56) | CYP2C19ALDH1A1TDP1ACHECA2 | |
| Tetrahydrofuran SCHEMBL11329410 | 0.87 | CYP2C19 (0.43) | CYP2C19ALDH1A1TDP1ACHECA2 | |
| SCHEMBL10834211 | 0.85 | CYP2C19 (0.59) | CYP2C19ALDH1A1TDP1ACHECA2 | |
| SCHEMBL36990 | 0.85 | CYP2C19 (0.59) | CYP2C19ALDH1A1TDP1ACHECA2 | |
| Cyclohexane SCHEMBL10719730 | 0.82 | CYP2C19 (0.52) | CYP2C19ALDH1A1TDP1ACHECA2 | |
| SCHEMBL9659709 | 0.82 | CYP2C19 (0.56) | CYP2C19ALDH1A1TDP1ACHECA2 | |
| Ammonia Solution, Strong SCHEMBL7923599 | 0.82 | CYP2C19 (0.56) | CYP2C19ALDH1A1TDP1ACHECA2 | |
| Water SCHEMBL3865217 | 0.82 | CYP2C19 (0.56) | CYP2C19ALDH1A1TDP1ACHECA2 | |
| Hydrogen Peroxide SCHEMBL16799548 | 0.82 | CYP2C19 (0.56) | CYP2C19ALDH1A1TDP1ACHECA2 |
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-107250037-B | Carbon material, method for producing same, and use thereof | 昭和电工株式会社 | 2019-07-19 | — | — | CN | disclosed |