Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 7/20 | 0.43 |
| ▸ | CTSS | P25774 | 5/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CTSL | P07711 | 6/20 | 0.41 |
| ▸ | KDM4A | O75164 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | TGM2 | P21980 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6443579 | 0.89 | CTSS (0.38) | CTSKCTSSCTSLCYP2C19CNR1 | |
| SCHEMBL6445536 | 0.88 | CTSK (0.55) | CTSKCTSSCTSLCTSB | |
| SCHEMBL6445386 | 0.86 | ALDH1A1 (0.44) | CTSKCTSSPOLBCTSLKDM4A | |
| SCHEMBL6443504 | 0.86 | CTSK (0.37) | CTSKCTSSCTSLMEN1KMT2A | |
| SCHEMBL6443588 | 0.82 | NPC1 (0.51) | CTSKCTSSPOLBCTSLKDM4A | |
| SCHEMBL6445366 | 0.81 | CTSS (0.47) | CTSKCTSSPOLBCTSLKDM4A | |
| SCHEMBL6443607 | 0.81 | CTSS (0.38) | CTSKCTSSPOLBCTSLKDM4A | |
| SCHEMBL6443393 | 0.80 | CTSK (0.43) | CTSKCTSSPOLBCTSLKDM4A | |
| SCHEMBL6448077 | 0.79 | KDM4E (0.54) | CTSKCTSSPOLBCTSLKDM4A | |
| SCHEMBL6447305 | 0.79 | CTSS (0.43) | CTSKCTSSPOLBCTSLKDM4A |
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 |