Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAPN1 | P07384 | 7/20 | 0.48 |
| ▸ | CTSB | P07858 | 2/20 | 0.42 |
| ▸ | CTSL | P07711 | 1/20 | 0.42 |
| ▸ | CTSS | P25774 | 1/20 | 0.42 |
| ▸ | CTSK | P43235 | 1/20 | 0.42 |
| ▸ | MMP1 | P03956 | 2/20 | 0.40 |
| ▸ | MMP2 | P08253 | 2/20 | 0.40 |
| ▸ | MMP3 | P08254 | 2/20 | 0.40 |
| ▸ | MMP7 | P09237 | 2/20 | 0.40 |
| ▸ | MMP9 | P14780 | 2/20 | 0.40 |
| ▸ | MMP13 | P45452 | 2/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.37 |
| ▸ | MMP14 | P50281 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.37 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.37 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6026500 | 0.83 | CAPN1 (0.66) | CAPN1CTSBCTSLCTSSCTSK | |
| SCHEMBL3913553 | 0.83 | CAPN1 (0.66) | CAPN1CTSBCTSLCTSSCTSK | |
| SCHEMBL3904669 | 0.83 | CAPN1 (0.66) | CAPN1CTSBCTSLCTSSCTSK | |
| SCHEMBL5363846 | 0.83 | CAPN1 (0.66) | CAPN1CTSBCTSLCTSSCTSK | |
| SCHEMBL1907361 | 0.83 | CAPN1 (0.66) | CAPN1CTSBCTSLCTSSCTSK | |
| SCHEMBL3913036 | 0.80 | CAPN1 (0.48) | CAPN1CTSBCTSLCTSSCTSK | |
| SCHEMBL3910399 | 0.79 | CAPN1 (0.47) | CAPN1CTSBCTSLCTSSCTSK | |
| SCHEMBL25466056 | 0.76 | LMNA (0.54) | CAPN1CTSBMMP1MMP2MMP9 | |
| SCHEMBL12943103 | 0.74 | USP30 (0.42) | CAPN1CTSBCTSLCTSSCTSK | |
| SCHEMBL3917869 | 0.73 | CAPN1 (0.54) | CAPN1CTSBMMP1MMP2MMP3 |
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-2018023054-A1 | PROTEASE TRANSITION STATE INHIBITOR PRODRUGS | KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) | 2018-02-01 | — | — | WO | disclosed |