Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.96 |
| ▸ | MEN1 | O00255 | 2/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | CA12 | O43570 | 2/20 | 0.58 |
| ▸ | CA9 | Q16790 | 2/20 | 0.58 |
| ▸ | GBA1 | P04062 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | ATM | Q13315 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | CA2 | P00918 | 2/20 | 0.55 |
| ▸ | CA1 | P00915 | 1/20 | 0.55 |
| ▸ | MMP1 | P03956 | 1/20 | 0.55 |
| ▸ | MMP2 | P08253 | 1/20 | 0.55 |
| ▸ | MMP9 | P14780 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL126985 | 0.98 | ALDH1A1 (1.00) | ALDH1A1MEN1KMT2ACYP2C9CA12 | |
| SCHEMBL29165439 | 0.96 | ALDH1A1 (0.96) | ALDH1A1MEN1KMT2ACYP2C9CA12 | |
| SCHEMBL11511836 | 0.89 | ALDH1A1 (0.83) | ALDH1A1KMT2ACYP2C9CA12CA9 | |
| P-Toluenesulfonamide SCHEMBL15517091 | 0.89 | ALDH1A1 (0.82) | ALDH1A1MEN1KMT2ACYP2C9CA12 | |
| Oxirane SCHEMBL8657873 | 0.89 | ALDH1A1 (0.82) | ALDH1A1MEN1KMT2ACYP2C9CA12 | |
| SCHEMBL27637625 | 0.83 | ALDH1A1 (0.72) | ALDH1A1MEN1KMT2ACYP2C9CA12 | |
| P-Toluenesulfonamide SCHEMBL8608429 | 0.83 | ALDH1A1 (0.72) | ALDH1A1MEN1KMT2ACA12CA9 | |
| SCHEMBL5567042 | 0.83 | ALDH1A1 (0.75) | ALDH1A1MEN1KMT2ACA12CA9 | |
| SCHEMBL634316 | 0.82 | ALDH1A1 (0.71) | ALDH1A1MEN1KMT2ACA12CA9 | |
| SCHEMBL11771962 | 0.81 | ALDH1A1 (0.70) | ALDH1A1MEN1KMT2ACA12CA9 |
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-113754509-A | Method for preparing conjugated diene with single stereo configuration from allyl alcohol compound | 中山大学 | 2021-12-07 | — | — | CN | disclosed |