Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 9/20 | 0.42 |
| ▸ | CTSS | P25774 | 8/20 | 0.42 |
| ▸ | CTSL | P07711 | 5/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6446273 | 0.90 | CTSK (0.48) | CTSKCTSSCTSLCTSBLMNA | |
| SCHEMBL6446709 | 0.90 | CTSS (0.53) | CTSKCTSSCTSLCTSB | |
| SCHEMBL6442192 | 0.89 | ESR1 (0.40) | CTSKCTSSCTSLCTSBESR1 | |
| SCHEMBL6442609 | 0.87 | CTSS (0.37) | CTSKCTSSCTSLCTSBESR1 | |
| SCHEMBL6446763 | 0.87 | ESR1 (0.41) | CTSKCTSSCTSLCTSBESR1 | |
| SCHEMBL6446503 | 0.85 | SMN1; SMN2 (0.43) | CTSKCTSSCTSLCTSBESR1 | |
| SCHEMBL6443928 | 0.84 | CTSK (0.41) | CTSKCTSSCTSLCTSBLMNA | |
| SCHEMBL6449254 | 0.84 | CTSS (0.33) | CTSKCTSSCTSLCTSBESR1 | |
| SCHEMBL6819019 | 0.83 | CTSS (0.48) | CTSKCTSSCTSLCTSB | |
| SCHEMBL6446330 | 0.83 | SMN1; SMN2 (0.48) | ESR1LMNATSHRMAPK1CYP1A2 |
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 |