Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAPN2 | P17655 | 12/20 | 0.75 |
| ▸ | CPB2 | Q96IY4 | 3/20 | 0.38 |
| ▸ | MMP1 | P03956 | 2/20 | 0.35 |
| ▸ | MMP2 | P08253 | 2/20 | 0.35 |
| ▸ | MMP3 | P08254 | 2/20 | 0.35 |
| ▸ | MMP7 | P09237 | 2/20 | 0.35 |
| ▸ | F2 | P00734 | 1/20 | 0.34 |
| ▸ | F10 | P00742 | 1/20 | 0.34 |
| ▸ | PLG | P00747 | 1/20 | 0.34 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.34 |
| ▸ | PROC | P04070 | 1/20 | 0.34 |
| ▸ | ADAM17 | P78536 | 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 | |
|---|---|---|---|---|
| SCHEMBL8206129 | 0.90 | CAPN2 (0.79) | CAPN2CPB2MMP1MMP2MMP3 | |
| SCHEMBL8208044 | 0.88 | CAPN2 (0.59) | CAPN2CPB2MMP1MMP2MMP3 | |
| SCHEMBL8208872 | 0.86 | CAPN2 (1.00) | CAPN2CPB2MMP1MMP2MMP3 | |
| SCHEMBL930611 | 0.86 | CAPN2 (1.00) | CAPN2CPB2MMP1MMP2MMP3 | |
| SCHEMBL931644 | 0.83 | CAPN2 (1.00) | CAPN2CPB2MMP1MMP2MMP3 | |
| SCHEMBL931525 | 0.78 | CAPN2 (0.63) | CAPN2MMP1MMP2MMP3MMP7 | |
| SCHEMBL930579 | 0.76 | CAPN2 (1.00) | CAPN2CPB2MMP1MMP2MMP3 | |
| SCHEMBL12943268 | 0.76 | CAPN2 (0.59) | CAPN2CPB2F2F10PLG | |
| SCHEMBL931065 | 0.76 | CAPN2 (0.58) | CAPN2MMP1MMP2MMP3MMP7 | |
| SCHEMBL931991 | 0.72 | CAPN2 (0.77) | CAPN2CPB2MMP1MMP2MMP3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008048121-A2 | MACROCYCLIC CYSTEINE PROTEASE INHIBITORS AND COMPOSITIONS THEREOF | LINCOLN UNIVERSITY (NZ) | 2008-04-24 | — | — | WO | disclosed |