Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 7/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 2/20 | 0.33 |
| ▸ | CTSK | P43235 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6446778 | 0.87 | CNR1 (0.43) | CNR1CNR2CTSLCTSSCTSK | |
| SCHEMBL6444717 | 0.85 | CTSL (0.47) | CNR1CNR2CTSLCTSSCTSK | |
| SCHEMBL6445401 | 0.80 | TNF (0.38) | CTSLCYP3A4CTSSCTSK | |
| SCHEMBL6020910 | 0.75 | SLC7A5 (0.51) | — | |
| SCHEMBL6446763 | 0.73 | ESR1 (0.41) | CNR1CNR2ESR1ESR2CTSL | |
| SCHEMBL6443579 | 0.72 | CTSS (0.38) | CNR1CNR2ESR1ESR2CTSL | |
| SCHEMBL6446787 | 0.72 | CTSS (0.52) | CTSLCTSSCTSK | |
| SCHEMBL6825007 | 0.72 | KDM4E (0.47) | CNR1CNR2CTSLMEN1ALDH1A1 | |
| SCHEMBL6822727 | 0.71 | CYP1A1 (0.40) | CNR1CNR2ESR1ESR2CTSL | |
| SCHEMBL6442609 | 0.71 | CTSS (0.37) | CNR1CNR2ESR1ESR2CTSL |
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 |