Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 2/20 | 0.55 |
| ▸ | TACR3 | P29371 | 2/20 | 0.55 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.50 |
| ▸ | LTA4H | P09960 | 1/20 | 0.45 |
| ▸ | F10 | P00742 | 2/20 | 0.45 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.45 |
| ▸ | F2 | P00734 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | CTSS | P25774 | 2/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1362522 | 0.88 | TACR1 (0.55) | TACR1TACR3GPR88LTA4HF10 | |
| SCHEMBL6156983 | 0.88 | CYP3A4 (0.48) | TACR1TACR3CNR1CNR2CTSS | |
| SCHEMBL6617401 | 0.85 | ACE (0.46) | CNR1CNR2 | |
| SCHEMBL6156498 | 0.82 | CTSS (0.41) | TACR1TACR3F10PRSS1F2 | |
| SCHEMBL2945636 | 0.82 | MME (0.48) | CTSSCTSKALDH1A1CTSL | |
| SCHEMBL5741003 | 0.82 | CNR1 (0.39) | TACR1TACR3CNR1CNR2CTSS | |
| SCHEMBL6157628 | 0.81 | TACR1 (0.41) | TACR1TACR3CNR1CTSSCTSK | |
| SCHEMBL5422667 | 0.80 | TACR1 (0.44) | TACR1TACR3F10PRSS1KDM4E | |
| SCHEMBL6156432 | 0.79 | MMP1 (0.45) | CTSSCTSK | |
| SCHEMBL6270135 | 0.79 | BCAT2 (0.43) | TACR1TACR3GPR88F10PRSS1 |
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 |