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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 2/20 | 0.48 |
| ▸ | ADRA2B known ✓ | P18089 | 2/20 | 0.48 |
| ▸ | ADRA2C known ✓ | P18825 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | APP | P05067 | 6/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | RECQL | P46063 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | CASP1 | P29466 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | KIF11 | P52732 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL153943 | 0.96 | TSHR (0.67) | TSHRAPPALDH1A1RECQLHSD17B10 | |
| Hydrochloric Acid SCHEMBL6241253 | 0.92 | TSHR (0.62) | TSHRAPPALDH1A1RECQLHSD17B10 | |
| Hydrochloric Acid SCHEMBL2801770 | 0.92 | TSHR (0.62) | TSHRAPPALDH1A1RECQLHSD17B10 | |
| Hydrochloric Acid SCHEMBL9647124 | 0.88 | TSHR (0.59) | TSHRAPPALDH1A1RECQLHSD17B10 | |
| SCHEMBL7338618 | 0.85 | TSHR (0.56) | TSHRAPPALDH1A1RECQLHSD17B10 | |
| SCHEMBL5147226 | 0.85 | KIF11 (0.64) | TSHRAPPALDH1A1RECQLHSD17B10 | |
| Bromide SCHEMBL3362685 | 0.84 | ALDH1A1 (0.73) | TSHRAPPALDH1A1RECQLHSD17B10 | |
| SCHEMBL16141203 | 0.82 | — | — | |
| SCHEMBL22126282 | 0.82 | TSHR (0.53) | TSHRAPPALDH1A1RECQLHSD17B10 | |
| SCHEMBL44533 | 0.82 | — | — |
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-6441164-B2 | A CROWN ETHER SUBSTITUTED BY EITHER ONE OR BOTH OF THE NITROGEN OF AN N,N'-DI-C1-C4-ALKYL-P-PHENYLENEDIAMINE; REDOX ACTIVE; BINDING METALS AND METAL IONS; DETECTORS; CHARGE TRANSFER COMPOUNDS; SWITCHES; MRI CONTRAST AGENTS | EAST CAROLINA UNIVERSITY | 2002-08-27 | — | — | US | disclosed |
| US-20010047095-A1 | A crown ether substituted by either one or both of the nitrogen of an N,N'-di-C1-C4-alkyl-p-phenylenediamine; redox active; binding metals and metal ions; detectors; charge transfer compounds; switches; MRI contrast agents | SIBERT JOHN W (US) | 2001-11-29 | — | — | US | disclosed |
| US-6262258-B1 | UEFUL AS REDOX SWITCHES, SENSORS, TRANSPORT AGENTS, AND ELECTROCATALYSTS | EAST CAROLINA UNIVERSITY | 2001-07-17 | — | — | 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-20010047095-A1 | A crown ether substituted by either one or both of the nitrogen of an N,N'-di-C1-C4-alkyl-p-phenylenediamine; redox active; binding metals and metal ions; detectors; charge transfer compounds; switches; MRI contrast agents | CBR3, CBR1, AOC3 | ADRA2A 3200/4885ADRA2B 3581/4885ADRA2C 2274/4885 |
“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.