Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 9/20 | 0.41 |
| ▸ | CTSS | P25774 | 8/20 | 0.41 |
| ▸ | CTSL | P07711 | 7/20 | 0.41 |
| ▸ | CTSB | P07858 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | CASR | P41180 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.35 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6443843 | 0.91 | CTSK (0.51) | CTSKCTSSCTSLCTSB | |
| SCHEMBL6443381 | 0.90 | CYP2D6 (0.40) | CTSKCTSSCTSLCTSBALDH1A1 | |
| SCHEMBL6446829 | 0.89 | CTSS (0.38) | CTSKCTSSCTSLCTSBMEN1 | |
| SCHEMBL6447648 | 0.89 | MTNR1A (0.40) | CTSKCTSSCTSLCTSBALDH1A1 | |
| SCHEMBL6446273 | 0.87 | CTSK (0.48) | CTSKCTSSCTSLCTSBLMNA | |
| SCHEMBL6445255 | 0.86 | NPC1 (0.44) | CTSKCTSSCTSLCTSBLMNA | |
| SCHEMBL6445250 | 0.85 | CTSS (0.35) | CTSKCTSSCTSLCTSBLMNA | |
| SCHEMBL6444049 | 0.85 | CTSS (0.50) | CTSKCTSSCTSLCTSB | |
| SCHEMBL6449561 | 0.85 | NPC1 (0.49) | CTSSCTSLCTSBLMNATSHR | |
| SCHEMBL6448170 | 0.84 | CTSK (0.42) | CTSKCTSSCTSLCTSBLMNA |
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 |