Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 12/20 | 0.41 |
| ▸ | CA2 | P00918 | 12/20 | 0.41 |
| ▸ | MMP1 | P03956 | 4/20 | 0.39 |
| ▸ | MMP2 | P08253 | 4/20 | 0.39 |
| ▸ | MMP9 | P14780 | 4/20 | 0.39 |
| ▸ | MMP8 | P22894 | 4/20 | 0.39 |
| ▸ | MMP13 | P45452 | 4/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.33 |
| ▸ | CTSG | P08311 | 1/20 | 0.33 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.33 |
| ▸ | CMA1 | P23946 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1346042 | 0.77 | CA1 (0.39) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL15827020 | 0.71 | CA2 (0.44) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL2261974 | 0.71 | CA2 (0.68) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL11382090 | 0.71 | CA2 (0.39) | CA1CA2MMP1MMP2MMP9 | |
| Tert-Butylbenzene SCHEMBL28573150 | 0.71 | CA1 (0.38) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL6372894 | 0.70 | KCNN4 (0.46) | PRSS1CTSGCTRB1CMA1CYP2C19 | |
| SCHEMBL6372899 | 0.70 | KCNN4 (0.46) | PRSS1CTSGCTRB1CMA1CYP2C19 | |
| SCHEMBL6372896 | 0.70 | KCNN4 (0.46) | PRSS1CTSGCTRB1CMA1CYP2C19 | |
| SCHEMBL17725466 | 0.70 | SMN1; SMN2 (0.43) | CA1CA2HSD11B1 | |
| SCHEMBL3152227 | 0.69 | CA1 (0.42) | CA1CA2MMP1MMP2MMP9 |
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-108794319-B | Preparation method of ibuprofen impurity A | 艾希尔（深圳）药物研发有限公司 | 2021-01-15 | — | — | CN | disclosed |