Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1S | Q13698 | 6/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.57 |
| ▸ | LMNA | P02545 | 4/20 | 0.57 |
| ▸ | TSHR | P16473 | 4/20 | 0.57 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.57 |
| ▸ | CACNA1C | Q13936 | 4/20 | 0.57 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.57 |
| ▸ | SLC22A1 | O15245 | 3/20 | 0.57 |
| ▸ | HRH2 | P25021 | 3/20 | 0.57 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.57 |
| ▸ | SCN1A | P35498 | 3/20 | 0.57 |
| ▸ | SCN2A | Q99250 | 3/20 | 0.57 |
| ▸ | SCN3A | Q9NY46 | 3/20 | 0.57 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.57 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.57 |
| ▸ | SCN4A | P35499 | 2/20 | 0.57 |
| ▸ | SCN7A | Q01118 | 2/20 | 0.57 |
| ▸ | CACNA1D | Q01668 | 2/20 | 0.57 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.57 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL10538420 | 1.00 | CACNA1S (0.60) | CACNA1SCYP3A4LMNATSHRKCNH2 | |
| SCHEMBL9506823 | 0.91 | CACNA1S (0.62) | CACNA1SCYP3A4LMNATSHRKCNH2 | |
| SCHEMBL11001652 | 0.90 | CACNA1S (0.61) | CACNA1SCYP3A4LMNATSHRKCNH2 | |
| SCHEMBL1938855 | 0.90 | CACNA1S (0.61) | CACNA1SCYP3A4LMNATSHRKCNH2 | |
| SCHEMBL9503788 | 0.90 | CACNA1S (0.61) | CACNA1SCYP3A4LMNATSHRKCNH2 | |
| SCHEMBL12557671 | 0.90 | CACNA1S (0.61) | CACNA1SCYP3A4LMNATSHRKCNH2 | |
| SCHEMBL10541270 | 0.90 | CACNA1S (0.61) | CACNA1SCYP3A4LMNATSHRKCNH2 | |
| SCHEMBL5812395 | 0.90 | CACNA1S (0.61) | CACNA1SCYP3A4LMNATSHRKCNH2 | |
| Hydrochloric Acid SCHEMBL9506837 | 0.88 | ITGB2 (0.48) | CACNA1SCYP3A4LMNATSHRKCNH2 | |
| SCHEMBL7348976 | 0.87 | CACNA1S (0.79) | CACNA1SCYP3A4LMNATSHRKCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0279425-B1 | USE OF BENZOTHIAZEPINE DERIVATIVES, IN PARTICULAR DILTIAZEM, IN THE MANUFACTURE OF MEDICAMENTS TO PROTECT LYMPHOCYTES | GÖDECKE AKTIENGESELLSCHAFT (DE) | 1993-08-04 | — | — | EP | disclosed |
| US-4861770-A | Use of benzothiazepine derivatives as lymphocyte protectors | GOEDECKE AKTIENGESELLSCHAFT (DE) | 1989-08-29 | — | — | US | disclosed |
| EP-0279425-A2 | Use of benzothiazepine derivatives, in particular diltiazem, in the manufacture of medicaments to protect lymphocytes | GÖDECKE AKTIENGESELLSCHAFT (DE) | 1988-08-24 | — | — | EP | disclosed |