Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 2/20 | 0.38 |
| ▸ | CTSK | P43235 | 2/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 3/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.32 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | SLC16A1 | P53985 | 1/20 | 0.31 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.31 |
| ▸ | BCHE | P06276 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | CTSL | P07711 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6443547 | 0.89 | CTSK (0.43) | CTSSCTSKCNR1CNR2CTSL | |
| SCHEMBL6442367 | 0.88 | CTSK (0.50) | CTSSCTSKCTSL | |
| SCHEMBL6446751 | 0.86 | TDP2 (0.39) | CTSSCTSKCNR1CNR2ALDH1A1 | |
| SCHEMBL6443504 | 0.83 | CTSK (0.37) | CTSSCTSKKDM4EALDH1A1CYP3A4 | |
| SCHEMBL6446763 | 0.81 | ESR1 (0.41) | CTSSCTSKCNR1CNR2ESR1 | |
| SCHEMBL6449254 | 0.81 | CTSS (0.33) | CTSSCTSKCNR1CNR2ESR1 | |
| SCHEMBL6442609 | 0.80 | CTSS (0.37) | CTSSCTSKCNR1CNR2ESR1 | |
| SCHEMBL6822727 | 0.80 | CYP1A1 (0.40) | CTSSCTSKCNR1CNR2ESR1 | |
| SCHEMBL6443745 | 0.80 | CTSS (0.47) | CTSSCTSKCNR1CNR2CTSL | |
| SCHEMBL6442192 | 0.79 | ESR1 (0.40) | CTSSCTSKCNR1CNR2ESR1 |
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 |