Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 4/20 | 0.52 |
| ▸ | CTSS | P25774 | 4/20 | 0.52 |
| ▸ | CTSL | P07711 | 3/20 | 0.52 |
| ▸ | CTSK | P43235 | 2/20 | 0.52 |
| ▸ | MMP9 | P14780 | 2/20 | 0.50 |
| ▸ | MMP8 | P22894 | 2/20 | 0.50 |
| ▸ | PIN1 | Q13526 | 3/20 | 0.47 |
| ▸ | MME | P08473 | 5/20 | 0.44 |
| ▸ | ACE | P12821 | 4/20 | 0.44 |
| ▸ | CPA1 | P15085 | 2/20 | 0.44 |
| ▸ | ACE2 | Q9BYF1 | 2/20 | 0.44 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.43 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.43 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.43 |
| ▸ | CTSV | O60911 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.42 |
| ▸ | TACR1 | P25103 | 1/20 | 0.41 |
| ▸ | PYGL | P06737 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6018993 | 0.90 | MMP9 (0.52) | CTSBCTSSCTSLCTSKMMP9 | |
| SCHEMBL6447376 | 0.88 | ITGB1 (0.48) | CTSBCTSSCTSLCTSKMMP9 | |
| SCHEMBL6443194 | 0.88 | CTSB (0.51) | CTSBCTSSCTSLCTSKMMP9 | |
| SCHEMBL6021851 | 0.87 | MMP9 (0.51) | CTSBCTSSCTSLCTSKMMP9 | |
| SCHEMBL6443832 | 0.87 | CTSL (0.52) | CTSBCTSSCTSLCTSKITGB1 | |
| SCHEMBL6020300 | 0.86 | CTSL (0.62) | CTSBCTSSCTSLCTSKMMP9 | |
| SCHEMBL6019856 | 0.83 | MMP9 (0.48) | CTSBCTSSCTSLCTSKMMP9 | |
| SCHEMBL6019793 | 0.81 | MMP9 (0.54) | CTSBCTSSCTSLCTSKMMP9 | |
| SCHEMBL6020550 | 0.81 | MMP9 (0.56) | CTSBCTSSCTSLCTSKMMP9 | |
| SCHEMBL6020748 | 0.81 | CTSB (0.58) | CTSBCTSSCTSLCTSKMMP9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004056755-A2 | COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES | JERENI AG (DE) | 2004-07-08 | — | — | WO | claimed |
| EP-1575903-A1 | COMPOUNDS FOR THE INHIBITION OF ROTAMASES | Jerini AG (DE) | 2005-09-21 | — | — | EP | disclosed |
| WO-2004065353-A1 | COMPOUNDS FOR THE INHIBITION OF ROTAMASES | JERINI AG (DE) | 2004-08-05 | — | — | WO | disclosed |
| WO-2004056755-A2 | COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES | JERENI AG (DE) | 2004-07-08 | — | — | WO | disclosed |