Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 12/20 | 0.56 |
| ▸ | CA9 | Q16790 | 12/20 | 0.56 |
| ▸ | CA1 | P00915 | 8/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL18397954 | 0.76 | CA12 (0.63) | CA12CA9CA1CYP19A1PTGS2 | |
| Hydrochloric Acid SCHEMBL18397877 | 0.75 | CA12 (0.62) | CA12CA9CA1CYP19A1CA2 | |
| SCHEMBL9533970 | 0.75 | PPARG (0.55) | CA12CA9CA1CYP19A1CA2 | |
| SCHEMBL20423833 | 0.72 | CA12 (0.58) | CA12CA9CA1CYP19A1CA2 | |
| SCHEMBL8515600 | 0.72 | CA9 (1.00) | CA12CA9CA1CYP19A1CA2 | |
| SCHEMBL28309771 | 0.72 | CA9 (0.71) | CA12CA9CA1CYP19A1PTGS2 | |
| SCHEMBL31467727 | 0.69 | CYP19A1 (0.64) | CA12CA9CA1CYP19A1PTGS2 | |
| SCHEMBL8515994 | 0.67 | CA9 (1.00) | CA12CA9CA1CYP19A1CA2 | |
| SCHEMBL8786379 | 0.67 | ABCB1 (0.45) | CA12CA9CA1CYP19A1CA2 | |
| SCHEMBL29799485 | 0.67 | MAOB (0.52) | NPC1 |
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-106336402-A | Baicalein derivative and preparation method thereof | 福州大学 | 2017-01-18 | — | — | CN | disclosed |