Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 2/20 | 0.61 |
| ▸ | CA1 | P00915 | 1/20 | 0.61 |
| ▸ | CA2 | P00918 | 1/20 | 0.61 |
| ▸ | MMP1 | P03956 | 1/20 | 0.61 |
| ▸ | MMP9 | P14780 | 1/20 | 0.61 |
| ▸ | MMP8 | P22894 | 1/20 | 0.61 |
| ▸ | MMP13 | P45452 | 1/20 | 0.61 |
| ▸ | GFER | P55789 | 1/20 | 0.54 |
| ▸ | IDO1 | P14902 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | PKM | P14618 | 2/20 | 0.51 |
| ▸ | F2 | P00734 | 1/20 | 0.51 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.51 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.51 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL7383385 | 1.00 | MMP2 (0.61) | MMP2CA1CA2MMP1MMP9 | |
| Hydrochloric Acid SCHEMBL7382379 | 0.87 | CA1 (0.48) | MMP2CA1CA2MMP1MMP9 | |
| SCHEMBL28431416 | 0.85 | MMP2 (0.59) | MMP2CA1CA2MMP1MMP9 | |
| SCHEMBL8425827 | 0.84 | RAPGEF3 (0.57) | ALDH1A1 | |
| SCHEMBL5196180 | 0.82 | CA1 (0.55) | MMP2CA1CA2MMP1MMP9 | |
| SCHEMBL28431417 | 0.81 | MMP9 (0.54) | MMP2CA1CA2MMP1MMP9 | |
| SCHEMBL2026104 | 0.80 | BCAT1 (0.55) | MMP2CA1CA2MMP1MMP9 | |
| SCHEMBL13570489 | 0.80 | MMP9 (0.53) | MMP2CA1CA2MMP1MMP9 | |
| SCHEMBL13527537 | 0.80 | MMP2 (0.66) | MMP2CA1CA2MMP1MMP9 | |
| SCHEMBL6102084 | 0.79 | HSD17B10 (0.73) | MMP2CA1CA2MMP1MMP9 |
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-117623996-A | Bivalent KEAP1-NRF2 inhibitor, preparation method and medical application thereof | 中国药科大学 | 2024-03-01 | — | — | CN | disclosed |