Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 2/20 | 0.40 |
| ▸ | CTSK | P43235 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 4/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1363027 | 0.90 | CTSS (0.40) | CTSSCTSKBCHECTSLBCAT2 | |
| SCHEMBL6157117 | 0.90 | CTSS (0.40) | CTSSCTSKBCHECTSLBCAT2 | |
| SCHEMBL6187630 | 0.86 | CTSS (0.40) | CTSSCTSKCTSLBCAT2NPC1 | |
| SCHEMBL6270135 | 0.83 | BCAT2 (0.43) | CTSSCTSKCTSLBCAT2 | |
| SCHEMBL2945636 | 0.81 | MME (0.48) | CTSSCTSKCTSL | |
| SCHEMBL6156983 | 0.81 | CYP3A4 (0.48) | CTSSCTSKCTSL | |
| SCHEMBL6618048 | 0.81 | BCAT2 (0.40) | CTSSCTSKCTSLBCAT2 | |
| SCHEMBL6157147 | 0.78 | TACR1 (0.55) | CTSSCTSKCTSL | |
| SCHEMBL6617401 | 0.78 | ACE (0.46) | — | |
| SCHEMBL6156432 | 0.78 | MMP1 (0.45) | CTSSCTSK |
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-1597245-A1 | BENZOTHIAZEPINE AND BENZOTHIEPINE DERIVATIVES | AstraZeneca AB (SE) | 2005-11-23 | — | — | EP | disclosed |
| EP-1501813-A2 | BENZOTHIADIAZEPINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | Astrazeneca AB (SE) | 2005-02-02 | — | — | EP | disclosed |
| WO-2004076430-A1 | BENZOTHIAZEPINE AND BENZOTHIEPINE DERIVATIVES | ASTRAZENECA AB (SE) | 2004-09-10 | — | — | WO | disclosed |
| WO-2003091232-A2 | BENZOTHIADIAZEPINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | ASTRAZENECA AB (SE) | 2003-11-06 | — | — | WO | disclosed |