Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | CTSS | P25774 | 13/20 | 0.46 |
| ▸ | CTSL | P07711 | 12/20 | 0.46 |
| ▸ | CTSB | P07858 | 5/20 | 0.46 |
| ▸ | CTSK | P43235 | 11/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6443710 | 0.96 | NPC1 (0.54) | NPC1RAB9ASMN1; SMN2LMNACTSS | |
| SCHEMBL6445255 | 0.91 | NPC1 (0.44) | NPC1RAB9ASMN1; SMN2LMNACTSS | |
| SCHEMBL6818834 | 0.89 | CTSS (0.48) | CTSSCTSLCTSBCTSK | |
| SCHEMBL6443791 | 0.88 | NPC1 (0.59) | NPC1RAB9ASMN1; SMN2LMNACTSS | |
| SCHEMBL6449561 | 0.88 | NPC1 (0.49) | NPC1RAB9ASMN1; SMN2LMNACTSS | |
| SCHEMBL6446070 | 0.87 | CTSS (0.48) | CTSSCTSLCTSBCTSK | |
| SCHEMBL6444220 | 0.86 | CTSS (0.44) | CTSSCTSLCTSBCTSK | |
| SCHEMBL6444054 | 0.86 | CTSS (0.50) | CTSSCTSLCTSBCTSK | |
| SCHEMBL6184244 | 0.85 | CTSS (0.62) | CTSSCTSLCTSBCTSK | |
| SCHEMBL6443843 | 0.85 | CTSK (0.51) | CTSSCTSLCTSBCTSK |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |