Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | STAT3 | P40763 | 2/20 | 0.42 |
| ▸ | TAS2R14 | Q9NYV8 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 4/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.38 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ENPP3 | O14638 | 2/20 | 0.38 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.38 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21822983 | 1.00 | ALDH1A1 (0.43) | ALDH1A1TSHRMEN1CYP2C9KMT2A | |
| SCHEMBL21801133 | 0.87 | STAT3 (0.41) | ALDH1A1MEN1KMT2ASTAT3CA1 | |
| SCHEMBL29180244 | 0.84 | ENPP1 (0.47) | ALDH1A1TSHRMEN1CYP2C9KMT2A | |
| SCHEMBL21801242 | 0.84 | ALDH1A1 (0.36) | ALDH1A1MEN1KMT2ASTAT3CA1 | |
| SCHEMBL21801241 | 0.84 | ALDH1A1 (0.36) | ALDH1A1MEN1KMT2ASTAT3CA1 | |
| SCHEMBL21812037 | 0.82 | ALDH1A1 (0.42) | ALDH1A1MEN1KMT2ACA1CA12 | |
| SCHEMBL28579528 | 0.82 | ALDH1A1 (0.44) | ALDH1A1TSHRMEN1CYP2C9KMT2A | |
| SCHEMBL989553 | 0.81 | CYP2D6 (0.52) | ALDH1A1TSHRMEN1CYP2C9KMT2A | |
| SCHEMBL22553706 | 0.81 | CYP2D6 (0.52) | ALDH1A1TSHRMEN1CYP2C9KMT2A | |
| SCHEMBL21801259 | 0.81 | ALDH1A1 (0.41) | ALDH1A1MEN1CYP2C9KMT2ASTAT3 |
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-113301959-A | Substituted chromen-4-ones for the treatment and prevention of hepatitis B virus infection | 豪夫迈·罗氏有限公司 | 2021-08-24 | — | — | CN | disclosed |