Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 4/20 | 0.33 |
| ▸ | CTSK | P43235 | 3/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
| ▸ | CTSB | P07858 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6443607 | 0.91 | CTSS (0.38) | CTSSCTSKCTSLCTSB | |
| SCHEMBL6443482 | 0.89 | CTSS (0.44) | CTSSCTSKCTSLCTSBESR1 | |
| SCHEMBL6445250 | 0.85 | CTSS (0.35) | CTSSCTSKCTSLCTSB | |
| SCHEMBL6442609 | 0.85 | CTSS (0.37) | CTSSCTSKCTSLCTSBESR1 | |
| SCHEMBL6446503 | 0.84 | SMN1; SMN2 (0.43) | CTSSCTSKCTSLCTSBESR1 | |
| SCHEMBL6448170 | 0.84 | CTSK (0.42) | CTSSCTSKCTSLCTSBESR1 | |
| SCHEMBL6442192 | 0.84 | ESR1 (0.40) | CTSSCTSKCTSLCTSBESR1 | |
| SCHEMBL6446330 | 0.82 | SMN1; SMN2 (0.48) | ESR1 | |
| SCHEMBL6446763 | 0.82 | ESR1 (0.41) | CTSSCTSKCTSLCTSBESR1 | |
| SCHEMBL6443579 | 0.81 | CTSS (0.38) | CTSSCTSKCTSLESR1ESR2 |
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 |