Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 6/20 | 0.37 |
| ▸ | CA1 | P00915 | 5/20 | 0.32 |
| ▸ | MMP1 | P03956 | 2/20 | 0.32 |
| ▸ | MMP2 | P08253 | 2/20 | 0.32 |
| ▸ | MMP9 | P14780 | 2/20 | 0.32 |
| ▸ | MMP8 | P22894 | 2/20 | 0.32 |
| ▸ | MMP13 | P45452 | 2/20 | 0.32 |
| ▸ | F2 | P00734 | 1/20 | 0.30 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.30 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.30 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6551188 | 0.79 | CA2 (0.34) | CA2CA1MMP1MMP2MMP9 | |
| SCHEMBL6551523 | 0.78 | CA2 (0.37) | CA2CA1MMP1MMP2MMP9 | |
| SCHEMBL444566 | 0.75 | CA2 (0.44) | CA2CA1MMP1MMP2MMP9 | |
| SCHEMBL31178751 | 0.74 | CA2 (0.38) | CA2CA1MMP1MMP2MMP9 | |
| SCHEMBL27868365 | 0.74 | CA2 (0.42) | CA2CA1MMP1MMP2MMP9 | |
| SCHEMBL15466102 | 0.72 | CA2 (0.34) | CA2CA1MMP1MMP2MMP9 | |
| SCHEMBL15261197 | 0.71 | — | — | |
| SCHEMBL13160703 | 0.70 | CA2 (0.35) | CA2CA1MMP1MMP2MMP9 | |
| SCHEMBL5310045 | 0.69 | — | — | |
| SCHEMBL20533374 | 0.69 | — | — |
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-111818917-A | Macrocyclic MCL-1 inhibitors and methods of use | 艾伯维公司 | 2020-10-23 | — | — | CN | disclosed |