Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CTSS | P25774 | 7/20 | 0.41 |
| ▸ | CTSL | P07711 | 4/20 | 0.41 |
| ▸ | CTSK | P43235 | 4/20 | 0.41 |
| ▸ | ACHE | P22303 | 11/20 | 0.40 |
| ▸ | CTSB | P07858 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6443162 | 0.95 | NPC1 (0.50) | NPC1RAB9ASMN1; SMN2LMNACTSS | |
| SCHEMBL6443436 | 0.89 | ACHE (0.40) | NPC1RAB9ASMN1; SMN2LMNAACHE | |
| SCHEMBL6446899 | 0.87 | CTSS (0.39) | CTSSCTSLCTSKCTSB | |
| SCHEMBL6446210 | 0.84 | ACHE (0.45) | NPC1RAB9ASMN1; SMN2LMNAACHE | |
| SCHEMBL6822996 | 0.84 | CTSS (0.38) | CTSSCTSLCTSKCTSB | |
| SCHEMBL6443290 | 0.82 | CTSS (0.37) | CTSSCTSLCTSKCTSB | |
| SCHEMBL6447218 | 0.82 | CTSS (0.40) | CTSSCTSLCTSKCTSB | |
| SCHEMBL6443744 | 0.82 | CTSS (0.42) | SMN1; SMN2LMNACTSSCTSLCTSK | |
| SCHEMBL6450601 | 0.79 | NPC1 (0.43) | NPC1RAB9ASMN1; SMN2LMNACTSS | |
| SCHEMBL30473390 | 0.79 | ACHE (0.56) | RAB9AACHE |
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 4 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 |
| WO-2004056755-A2 | COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES | JERENI AG (DE) | 2004-07-08 | — | — | WO | disclosed |