Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 1/20 | 0.48 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.48 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.48 |
| ▸ | CTSL | P07711 | 5/20 | 0.48 |
| ▸ | CTSS | P25774 | 4/20 | 0.48 |
| ▸ | CTSK | P43235 | 4/20 | 0.48 |
| ▸ | CTSB | P07858 | 3/20 | 0.48 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.47 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.47 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.47 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.47 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.47 |
| ▸ | TACR2 | P21452 | 1/20 | 0.46 |
| ▸ | MMP9 | P14780 | 1/20 | 0.45 |
| ▸ | MMP8 | P22894 | 1/20 | 0.45 |
| ▸ | MMP14 | P50281 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CLPP | Q16740 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6443832 | 0.93 | CTSL (0.52) | ITGB1ITGA4ITGB7CTSLCTSS | |
| SCHEMBL6442967 | 0.88 | CTSB (0.52) | ITGB1ITGA4ITGB7CTSLCTSS | |
| SCHEMBL6019951 | 0.88 | CTSL (0.50) | CTSLCTSSCTSKCTSBMMP9 | |
| SCHEMBL6443458 | 0.86 | CTSL (0.47) | ITGB1ITGA4ITGB7CTSLCTSS | |
| SCHEMBL6021595 | 0.86 | CTSL (0.50) | CTSLCTSSCTSKCTSBMMP9 | |
| SCHEMBL6449554 | 0.84 | CTSB (0.45) | ITGB1ITGA4ITGB7CTSLCTSS | |
| SCHEMBL5517750 | 0.84 | CTSL (0.64) | CTSLCTSSCTSKCTSB | |
| SCHEMBL6021764 | 0.84 | CTSL (0.64) | CTSLCTSSCTSKCTSB | |
| SCHEMBL5924629 | 0.83 | CTSB (0.54) | ITGB1ITGA4ITGB7CTSLCTSS | |
| SCHEMBL6020939 | 0.82 | CTSL (0.45) | CTSLCTSSCTSKCTSBMMP9 |
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 6 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 |
| WO-2004056755-A2 | COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES | JERENI AG (DE) | 2004-07-08 | — | — | WO | disclosed |