Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1S | Q13698 | 4/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.52 |
| ▸ | TSHR | P16473 | 5/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.52 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.52 |
| ▸ | HTR1A | P08908 | 4/20 | 0.52 |
| ▸ | DRD2 | P14416 | 4/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.52 |
| ▸ | SLC22A1 | O15245 | 3/20 | 0.52 |
| ▸ | HRH2 | P25021 | 3/20 | 0.52 |
| ▸ | SCN1A | P35498 | 3/20 | 0.52 |
| ▸ | SCN2A | Q99250 | 3/20 | 0.52 |
| ▸ | SCN3A | Q9NY46 | 3/20 | 0.52 |
| ▸ | PRNP | P04156 | 3/20 | 0.52 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.52 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.52 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.52 |
| ▸ | DRD1 | P21728 | 3/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL9506823 | 0.93 | CACNA1S (0.62) | CACNA1SCYP2D6CYP1A2TSHRKCNH2 | |
| Hydrochloric Acid SCHEMBL9506849 | 0.91 | CACNA1S (0.53) | CACNA1SCYP2D6CYP1A2TSHRKCNH2 | |
| SCHEMBL10507327 | 0.90 | CACNA1S (0.70) | CACNA1SCYP2D6CYP1A2TSHRKCNH2 | |
| SCHEMBL10507332 | 0.90 | CACNA1S (0.70) | CACNA1SCYP2D6CYP1A2TSHRKCNH2 | |
| SCHEMBL10507320 | 0.90 | CACNA1S (0.70) | CACNA1SCYP2D6CYP1A2TSHRKCNH2 | |
| Hydrochloric Acid SCHEMBL9504066 | 0.89 | CACNA1S (0.69) | CACNA1SCYP2D6CYP1A2TSHRKCNH2 | |
| SCHEMBL10541270 | 0.85 | CACNA1S (0.61) | CACNA1SCYP2D6CYP1A2TSHRKCNH2 | |
| SCHEMBL5812395 | 0.85 | CACNA1S (0.61) | CACNA1SCYP2D6CYP1A2TSHRKCNH2 | |
| SCHEMBL12557671 | 0.85 | CACNA1S (0.61) | CACNA1SCYP2D6CYP1A2TSHRKCNH2 | |
| SCHEMBL11001652 | 0.85 | CACNA1S (0.61) | CACNA1SCYP2D6CYP1A2TSHRKCNH2 |
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 |