Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 15/20 | 0.50 |
| ▸ | CTSK | P43235 | 14/20 | 0.50 |
| ▸ | CTSL | P07711 | 11/20 | 0.50 |
| ▸ | CTSB | P07858 | 6/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.42 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6818834 | 0.90 | CTSS (0.48) | CTSSCTSKCTSLCTSBCYP2D6 | |
| SCHEMBL6446070 | 0.90 | CTSS (0.48) | CTSSCTSKCTSLCTSB | |
| SCHEMBL6447648 | 0.90 | MTNR1A (0.40) | CTSSCTSKCTSLCTSBALDH1A1 | |
| SCHEMBL6445274 | 0.89 | CTSS (0.60) | CTSSCTSKCTSLCTSB | |
| SCHEMBL6184244 | 0.88 | CTSS (0.62) | CTSSCTSKCTSLCTSB | |
| SCHEMBL6443843 | 0.88 | CTSK (0.51) | CTSSCTSKCTSLCTSB | |
| SCHEMBL6442556 | 0.86 | CTSS (0.58) | CTSSCTSKCTSLCTSB | |
| SCHEMBL6442277 | 0.86 | NPC1 (0.49) | CTSSCTSKCTSLCTSB | |
| SCHEMBL5525516 | 0.86 | CTSK (0.53) | CTSSCTSKCTSLCTSB | |
| SCHEMBL6443710 | 0.84 | NPC1 (0.54) | CTSSCTSKCTSLCTSB |
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 |