Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 8/20 | 0.38 |
| ▸ | CTSK | P43235 | 6/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | CTSL | P07711 | 6/20 | 0.38 |
| ▸ | CTSB | P07858 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KDM4A | O75164 | 1/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.35 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6449254 | 0.91 | CTSS (0.33) | CTSSCTSKCTSLCTSB | |
| SCHEMBL6443108 | 0.90 | CTSS (0.48) | CTSSCTSKSMN1; SMN2NPC1RAB9A | |
| SCHEMBL6445250 | 0.88 | CTSS (0.35) | CTSSCTSKSMN1; SMN2NPC1RAB9A | |
| SCHEMBL6447305 | 0.84 | CTSS (0.43) | CTSSCTSKSMN1; SMN2NPC1RAB9A | |
| SCHEMBL6443774 | 0.84 | NPC1 (0.55) | CTSSCTSKSMN1; SMN2NPC1RAB9A | |
| SCHEMBL6446273 | 0.84 | CTSK (0.48) | CTSSCTSKLMNACTSLCTSB | |
| SCHEMBL6442434 | 0.83 | POLB (0.45) | CTSSCTSKSMN1; SMN2NPC1RAB9A | |
| SCHEMBL6445531 | 0.82 | NPC1 (0.60) | SMN1; SMN2NPC1RAB9ALMNAKDM4A | |
| SCHEMBL6450930 | 0.82 | CTSS (0.36) | CTSSCTSKCTSLCTSBALDH1A1 | |
| SCHEMBL6445366 | 0.82 | CTSS (0.47) | CTSSCTSKCTSLCTSBPOLB |
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 |