Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.50 |
| ▸ | CA2 | P00918 | 3/20 | 0.50 |
| ▸ | CA7 | P43166 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.39 |
| ▸ | NQO2 | P16083 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15637986 | 1.00 | CA1 (0.50) | CA1CA2CA7CA9CA12 | |
| SCHEMBL5251289 | 0.80 | KCNN4 (0.35) | CA1CA2CA7CA9CA12 | |
| SCHEMBL30233695 | 0.80 | CA12 (0.38) | CA1CA2CA7CA9CA12 | |
| SCHEMBL3153158 | 0.79 | CA1 (0.46) | CA1CA2CA7CA9CA12 | |
| SCHEMBL28924088 | 0.79 | ALDH1A1 (0.31) | CA1CA2CA7CA9CA12 | |
| SCHEMBL7055834 | 0.78 | TP53 (0.36) | ALDH1A1TP53TSHRGAA | |
| SCHEMBL15638026 | 0.78 | SLC6A4 (0.44) | ALDH1A1TSHRPTGS1MAPK1HTT | |
| SCHEMBL30444575 | 0.78 | SLC6A4 (0.44) | ALDH1A1TSHRPTGS1MAPK1HTT | |
| SCHEMBL19181561 | 0.77 | CA1 (0.60) | CA1CA2CA7CA9CA12 | |
| SCHEMBL15638630 | 0.76 | NQO1 (0.47) | CA1CA2CA7CA9CA12 |
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-111253424-B | Silylation of aromatic heterocycles over earth-rich transition metal-free catalysts | 加州理工学院 | 2023-06-20 | — | — | CN | disclosed |
| CN-115433222-A | Preparation method and application of 2- (gem-difluoropropylene) benzamide compound | 五邑大学 | 2022-12-06 | — | — | CN | disclosed |