Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
| ▸ | CTSS | P25774 | 2/20 | 0.43 |
| ▸ | CTSK | P43235 | 1/20 | 0.43 |
| ▸ | TACR1 | P25103 | 2/20 | 0.43 |
| ▸ | TACR3 | P29371 | 2/20 | 0.43 |
| ▸ | CTSL | P07711 | 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 | |
|---|---|---|---|---|
| SCHEMBL1362244 | 0.89 | CYP3A4 (0.47) | CYP3A4TSHRALDH1A1KDM4ECNR1 | |
| SCHEMBL6617401 | 0.88 | ACE (0.46) | CNR1CNR2 | |
| SCHEMBL6157147 | 0.88 | TACR1 (0.55) | ALDH1A1KDM4ECNR1CNR2CTSS | |
| SCHEMBL2945636 | 0.84 | MME (0.48) | ALDH1A1CTSSCTSKCTSL | |
| SCHEMBL5741003 | 0.84 | CNR1 (0.39) | ALDH1A1KDM4ECNR1CNR2CTSS | |
| SCHEMBL6156432 | 0.82 | MMP1 (0.45) | CTSSCTSK | |
| SCHEMBL6156498 | 0.82 | CTSS (0.41) | CTSSCTSKTACR1TACR3CTSL | |
| SCHEMBL6187630 | 0.81 | CTSS (0.40) | CTSSCTSKCTSL | |
| SCHEMBL6157124 | 0.81 | CTSS (0.40) | CTSSCTSKCTSL | |
| SCHEMBL5742695 | 0.81 | CTSS (0.40) | ALDH1A1KDM4ECTSSCTSKTACR1 |
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-1501813-A2 | BENZOTHIADIAZEPINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | Astrazeneca AB (SE) | 2005-02-02 | — | — | EP | disclosed |
| EP-1430040-A1 | BENZOTHIAZEPINE DERIVATIVES | Astrazeneca AB (SE) | 2004-06-23 | — | — | EP | disclosed |
| WO-2003091232-A2 | BENZOTHIADIAZEPINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | ASTRAZENECA AB (SE) | 2003-11-06 | — | — | WO | disclosed |
| WO-2003020710-A1 | BENZOTHIAZEPINE DERIVATIVES | ASTRAZENECA AB (SE) | 2003-03-13 | — | — | WO | disclosed |