Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 10/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 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 SCHEMBL14151692 | 0.92 | CA12 (0.48) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL1398374 | 0.92 | CA12 (0.48) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL7285124 | 0.90 | CA12 (0.46) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL27729822 | 0.90 | CA12 (0.46) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL27804564 | 0.90 | CA12 (0.46) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL28185266 | 0.89 | CA12 (0.44) | CA12CA1CA2GLACA3 | |
| Naphthalene SCHEMBL28178058 | 0.87 | CA12 (0.42) | CA12CA1CA2GLACA3 | |
| Benzene SCHEMBL29022973 | 0.84 | — | — | |
| Aniline SCHEMBL29068756 | 0.81 | TSHR (0.41) | TDP1CYP19A1CYP1A2CYP2C19ALDH1A1 | |
| Propane SCHEMBL27819842 | 0.79 | — | — |
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-114907279-B | Synthesis method of N-oxybenzene propyl triazole | 金华职业技术学院 | 2023-11-10 | — | — | CN | disclosed |