Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2 | P00734 | 3/20 | 0.56 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.56 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.56 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.56 |
| ▸ | PKM | P14618 | 2/20 | 0.55 |
| ▸ | CA1 | P00915 | 4/20 | 0.52 |
| ▸ | CA2 | P00918 | 4/20 | 0.52 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.52 |
| ▸ | PARP1 | P09874 | 1/20 | 0.52 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.52 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | MMP1 | P03956 | 1/20 | 0.52 |
| ▸ | MMP2 | P08253 | 1/20 | 0.52 |
| ▸ | MMP9 | P14780 | 1/20 | 0.52 |
| ▸ | MMP8 | P22894 | 1/20 | 0.52 |
| ▸ | MMP13 | P45452 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 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 | |
|---|---|---|---|---|
| SCHEMBL27880969 | 0.85 | PKM (0.55) | F2PRSS1PRSS2PRSS3PKM | |
| SCHEMBL8843455 | 0.82 | F2 (0.50) | F2PRSS1PRSS2PRSS3PKM | |
| SCHEMBL28763397 | 0.80 | F2 (0.53) | F2PRSS1PRSS2PRSS3PKM | |
| SCHEMBL28303054 | 0.80 | ALDH1A1 (0.41) | F2PRSS1PRSS2PRSS3PKM | |
| SCHEMBL3836056 | 0.80 | ALDH1A1 (0.58) | F2PRSS1PRSS2PRSS3CA1 | |
| SCHEMBL8827511 | 0.78 | TSHR (0.52) | F2PRSS1PRSS2PRSS3PKM | |
| SCHEMBL8198936 | 0.77 | PKM (0.67) | F2PRSS1PRSS2PRSS3PKM | |
| SCHEMBL10763646 | 0.77 | PKM (0.67) | F2PRSS1PRSS2PRSS3PKM | |
| SCHEMBL29221716 | 0.77 | HSD11B1 (0.53) | CA1CA2CA9ALDH1A1NPSR1 | |
| SCHEMBL18007730 | 0.76 | F2 (0.50) | F2PRSS1PRSS2PRSS3CA1 |
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-112367983-A | 1,4 substituted isoquinoline inhibitors of KEAP1/NRF2 protein-protein interaction | 伊利诺伊大学评议会 | 2021-02-12 | — | — | CN | disclosed |