Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | CA3 | P07451 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.36 |
| ▸ | ATM | Q13315 | 2/20 | 0.36 |
| ▸ | MYC | P01106 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 3/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.33 |
| ▸ | ACHE | P22303 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| Phenol SCHEMBL28205640 | 0.94 | TDP1 (0.44) | CA12CA1CA2GLACA3 | |
| SCHEMBL27931079 | 0.87 | ALDH1A1 (0.44) | CA1CA2CA9TDP1ALDH1A1 | |
| Phenol SCHEMBL28166640 | 0.82 | CA12 (0.58) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL28220439 | 0.78 | CA12 (0.52) | CA12CA1CA2GLACA3 | |
| SCHEMBL2608092 | 0.78 | ALDH1A1 (0.39) | TDP1ALDH1A1CYP1A2CYP3A4HSP90AA1 | |
| SCHEMBL30663464 | 0.75 | ALDH1A1 (0.41) | TDP1ALDH1A1KDM4EHSD17B10MEN1 | |
| Phenol SCHEMBL28188776 | 0.74 | CA12 (0.52) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL28298044 | 0.74 | ALDH1A1 (0.71) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL27466375 | 0.74 | TDP1 (0.58) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL7536186 | 0.73 | TRPA1 (0.46) | CA12CA1CA2GLACA3 |
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-109715619-A | Homogeneous amorphous high fever epoxy blended compound material composition, its product and purposes | 沙特基础工业全球技术有限公司 | 2019-05-03 | — | — | CN | disclosed |