Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.54 |
| ▸ | CACNA1S | Q13698 | 7/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.54 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.54 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.54 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.54 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.54 |
| ▸ | HRH2 | P25021 | 1/20 | 0.54 |
| ▸ | SCN1A | P35498 | 1/20 | 0.54 |
| ▸ | SCN4A | P35499 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | SCN7A | Q01118 | 1/20 | 0.54 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.54 |
| ▸ | PLAUR | Q03405 | 1/20 | 0.54 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9504966 | 0.93 | CACNA1S (0.51) | CACNA1SCYP3A4ALDH1A1TSHRABCB11 | |
| Hydrochloric Acid SCHEMBL9503935 | 0.89 | CACNA1S (0.62) | CACNA1SCYP3A4ALDH1A1TSHRABCB11 | |
| SCHEMBL7348984 | 0.84 | CACNA1S (0.79) | CACNA1SCYP3A4ALDH1A1TSHRABCB11 | |
| SCHEMBL7348976 | 0.84 | CACNA1S (0.79) | CACNA1SCYP3A4ALDH1A1TSHRABCB11 | |
| SCHEMBL7273620 | 0.84 | CACNA1S (0.79) | CACNA1SCYP3A4ALDH1A1TSHRABCB11 | |
| SCHEMBL29376769 | 0.84 | CACNA1S (0.79) | CACNA1SCYP3A4ALDH1A1TSHRABCB11 | |
| SCHEMBL9385669 | 0.84 | CACNA1S (0.79) | CACNA1SCYP3A4ALDH1A1TSHRABCB11 | |
| SCHEMBL7264295 | 0.84 | CACNA1S (0.79) | CACNA1SCYP3A4ALDH1A1TSHRABCB11 | |
| Hydrochloric Acid SCHEMBL10578252 | 0.84 | MAPT (0.44) | CACNA1SCYP3A4ALDH1A1TSHRABCB11 | |
| SCHEMBL24711104 | 0.83 | CACNA1S (0.66) | CACNA1SCYP3A4ALDH1A1TSHRABCB11 |
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 |