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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.63 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.62 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.62 |
| ▸ | CXCR4 | P61073 | 12/20 | 0.62 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.62 |
| ▸ | MEN1 | O00255 | 1/20 | 0.62 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.62 |
| ▸ | CCR2 | P41597 | 1/20 | 0.62 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.62 |
| ▸ | BLM | P54132 | 1/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.62 |
| ▸ | DRD4 | P21917 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL1782106 | 0.98 | SIGMAR1 (0.66) | SIGMAR1CXCR4HRH3MEN1CHRM2 | |
| SCHEMBL26641019 | 0.96 | CXCR4 (0.68) | SIGMAR1CXCR4HRH3MEN1CHRM2 | |
| SCHEMBL31341381 | 0.88 | CXCR4 (0.58) | SIGMAR1CXCR4HRH3MEN1CHRM2 | |
| Bromide SCHEMBL1257550 | 0.88 | CXCR4 (0.78) | SIGMAR1CXCR4HRH3MEN1CHRM2 | |
| Hydrochloric Acid SCHEMBL5573232 | 0.86 | CXCR4 (0.78) | SIGMAR1CXCR4HRH3MEN1CHRM2 | |
| SCHEMBL1259387 | 0.86 | CXCR4 (0.81) | SIGMAR1CXCR4HRH3MEN1CHRM2 | |
| SCHEMBL5428090 | 0.83 | DRD4 (0.63) | SIGMAR1HRH3DRD4 | |
| SCHEMBL27012559 | 0.82 | SIGMAR1 (0.66) | SIGMAR1CXCR4HRH3MEN1CHRM2 | |
| Hydrochloric Acid SCHEMBL27006374 | 0.81 | CXCR4 (0.66) | SIGMAR1CXCR4HRH3MEN1CHRM2 | |
| SCHEMBL208118 | 0.80 | SIGMAR1 (0.68) | SIGMAR1CXCR4HRH3MEN1CHRM2 |
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 |
|---|---|---|---|---|---|---|---|
| US-9587035-B2 | Assay for benzylpiperazine and metabolites | RANDOX LABORATORIES LIMITED (GB) | 2017-03-07 | — | — | US | disclosed |
| EP-2679241-B1 | Assay for benzylpiperazines and metabolites | RANDOX LAB LTD (GB) | 2016-09-14 | — | — | EP | disclosed |
| US-20140004623-A1 | Assay for Benzylpiperazine and Metabolites | NORTHERN BANK LIMITED (IE) | 2014-01-02 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20140004623-A1 | Assay for Benzylpiperazine and Metabolites | SHBG, DAZAP1, CYP4Z1 | SIGMAR1 757/4885CHRM2 1043/4885ADRA2C 570/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.