Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | TTR | P02766 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| Dioxane SCHEMBL10324821 | 1.00 | CA2 (0.35) | CA2TTRTDP1 | |
| Dioxane SCHEMBL3104036 | 1.00 | CA2 (0.35) | CA2TTRTDP1 | |
| Dioxane SCHEMBL2949971 | 0.91 | TTR (0.43) | TTRTDP1 | |
| SCHEMBL4625372 | 0.91 | TTR (0.43) | TTRTDP1 | |
| Tetrahydrofuran SCHEMBL28609324 | 0.89 | ALDH1A1 (0.42) | CA2TDP1 | |
| SCHEMBL28902249 | 0.89 | CA2 (0.33) | CA2 | |
| Tetrahydrofuran SCHEMBL2336993 | 0.89 | ALDH1A1 (0.42) | CA2TDP1 | |
| Tetrahydrofuran SCHEMBL310535 | 0.89 | ALDH1A1 (0.42) | CA2TDP1 | |
| SCHEMBL8859291 | 0.87 | ALDH1A1 (0.40) | CA2TDP1 | |
| SCHEMBL11713823 | 0.87 | ALDH1A1 (0.40) | CA2TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6040484-A | HYDROXYLATION OF PHENOLIC COMPOUNDS USING HYDROGEN PEROXIDE AND A CATALYST OF AT LEAST ONE RARE EARTH OR BISMUTH TRIFLATE; CATALYST SELECTIVITY | RHODIA CHIMIE (FR) | 2000-03-21 | — | — | US | claimed |