Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 12/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 12/20 | 0.46 |
| ▸ | CA2 | P00918 | 5/20 | 0.41 |
| ▸ | CA1 | P00915 | 4/20 | 0.41 |
| ▸ | CA7 | P43166 | 8/20 | 0.38 |
| ▸ | CA9 | Q16790 | 5/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | MLYCD | O95822 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29206820 | 0.81 | CA12 (0.46) | CA12CA14CA2CA1CA7 | |
| SCHEMBL28149553 | 0.81 | CA12 (0.50) | CA12CA14CA2CA1CA7 | |
| SCHEMBL22489397 | 0.76 | CA12 (0.41) | CA12CA14CA2CA1CA7 | |
| SCHEMBL17222818 | 0.76 | EPHX2 (0.40) | CA12CA14CA2CA1CYP2D6 | |
| SCHEMBL3485766 | 0.76 | EPHX2 (0.40) | CA12CA14CA2CA1CYP2D6 | |
| SCHEMBL16887385 | 0.74 | EPHX2 (0.39) | CA12CA14CA2CA1CYP2D6 | |
| SCHEMBL410766 | 0.74 | EPHX2 (0.39) | CA12CA14CA2CA1CYP2D6 | |
| SCHEMBL10209390 | 0.72 | EPHX2 (0.38) | CA12CA14CA2CA1CYP2D6 | |
| SCHEMBL2683321 | 0.72 | EPHX2 (0.38) | CA12CA14CA2CA1CYP2D6 | |
| Hydrochloric Acid SCHEMBL2842708 | 0.72 | EPHX2 (0.38) | CA12CA14CA2CA1CYP2D6 |
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-109121414-A | Benzopyrazole compounds and analogs thereof | 拜奥克里斯特制药公司 | 2019-01-01 | — | — | CN | disclosed |