Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 7/20 | 0.58 |
| ▸ | CA12 | O43570 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 1/20 | 0.55 |
| ▸ | GLA | P06280 | 1/20 | 0.55 |
| ▸ | CA3 | P07451 | 1/20 | 0.55 |
| ▸ | CA4 | P22748 | 1/20 | 0.55 |
| ▸ | CA9 | Q16790 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.55 |
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.54 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.54 |
| ▸ | ESR1 | P03372 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.50 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.50 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL14538339 | 0.93 | ESR2 (0.68) | ESR2SLC18A3SIGMAR1ESR1CYP3A4 | |
| Hydrogen Peroxide SCHEMBL2353767 | 0.89 | SLC18A3 (0.64) | SLC18A3SIGMAR1CYP2C9AKR1C3AKR1C1 | |
| Phenol SCHEMBL11482901 | 0.89 | SLC18A3 (0.53) | ESR2CA12CA1CA2GLA | |
| SCHEMBL41763 | 0.87 | — | — | |
| SCHEMBL190417 | 0.87 | SLC18A3 (0.67) | SLC18A3SIGMAR1AKR1C3AKR1C1GRIN2B | |
| Methyl Alcohol SCHEMBL2329914 | 0.84 | SLC18A3 (0.58) | ESR2SLC18A3SIGMAR1CYP2C9AKR1C3 | |
| Benzene SCHEMBL23070411 | 0.84 | SLC18A3 (0.64) | SLC18A3SIGMAR1AKR1C3AKR1C1GRIN2B | |
| Ammonia Solution, Strong SCHEMBL3932661 | 0.84 | SLC18A3 (0.64) | SLC18A3SIGMAR1AKR1C3AKR1C1GRIN2B | |
| Hydrochloric Acid SCHEMBL29241797 | 0.84 | SLC18A3 (0.64) | SLC18A3SIGMAR1AKR1C3AKR1C1GRIN2B | |
| Phenol SCHEMBL9414521 | 0.82 | ESR2 (0.58) | ESR2ESR1CYP3A4CYP2C9DEGS1 |
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-109304176-A | A kind of synthetic method of cyclohexanol kind compound | 中国石油化工股份有限公司 | 2019-02-05 | — | — | CN | disclosed |