Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP9 | P14780 | 6/20 | 0.52 |
| ▸ | MMP8 | P22894 | 6/20 | 0.52 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.48 |
| ▸ | ACE | P12821 | 3/20 | 0.47 |
| ▸ | MME | P08473 | 3/20 | 0.47 |
| ▸ | CPA1 | P15085 | 2/20 | 0.47 |
| ▸ | ACE2 | Q9BYF1 | 2/20 | 0.47 |
| ▸ | CTSB | P07858 | 3/20 | 0.47 |
| ▸ | CTSS | P25774 | 3/20 | 0.47 |
| ▸ | CTSL | P07711 | 2/20 | 0.47 |
| ▸ | CTSK | P43235 | 2/20 | 0.47 |
| ▸ | MMP2 | P08253 | 4/20 | 0.46 |
| ▸ | FCER2 | P06734 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6824557 | 0.89 | MMP9 (0.48) | MMP9MMP8HDAC3HDAC4HDAC1 | |
| SCHEMBL6442695 | 0.87 | HDAC3 (0.64) | MMP9MMP8HDAC3HDAC4HDAC1 | |
| SCHEMBL6819030 | 0.84 | HDAC3 (0.50) | MMP9MMP8HDAC3HDAC4HDAC1 | |
| SCHEMBL6019361 | 0.83 | MMP9 (0.59) | MMP9MMP8ACEMMECPA1 | |
| SCHEMBL6020550 | 0.83 | MMP9 (0.56) | MMP9MMP8ACEMMECPA1 | |
| SCHEMBL6020397 | 0.82 | CTSB (0.57) | MMP9MMP8CTSBCTSSCTSL | |
| SCHEMBL6020300 | 0.82 | CTSL (0.62) | MMP9MMP8ACEMMECTSB | |
| SCHEMBL6019793 | 0.81 | MMP9 (0.54) | MMP9MMP8ACEMMECPA1 | |
| SCHEMBL6019405 | 0.81 | MMP9 (0.54) | MMP9MMP8ACEMMECPA1 | |
| SCHEMBL6020171 | 0.81 | CTSB (0.53) | MMP9MMP8CTSBCTSSCTSL |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1575903-A1 | COMPOUNDS FOR THE INHIBITION OF ROTAMASES | Jerini AG (DE) | 2005-09-21 | — | — | EP | claimed |
| WO-2004065353-A1 | COMPOUNDS FOR THE INHIBITION OF ROTAMASES | JERINI AG (DE) | 2004-08-05 | — | — | WO | claimed |
| 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 |