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 | |
|---|---|---|---|---|
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.38 |
| ▸ | SHBG | P04278 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | CSNK2A1 | P68400 | 5/20 | 0.36 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.35 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.35 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.35 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | TTR | P02766 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14145128 | 0.98 | SIRT1 (0.39) | SIRT1SHBGTHRBCSNK2A1S1PR2 | |
| Trimethylammonium SCHEMBL27731896 | 0.92 | SIRT1 (0.36) | SIRT1SHBGTHRBCSNK2A1S1PR2 | |
| SCHEMBL12305705 | 0.83 | THRB (0.52) | THRBCSNK2A1PTGS1PTGS2ALDH1A1 | |
| SCHEMBL2946057 | 0.83 | CA1 (0.50) | SHBGPTGS1PTGS2HMGB1CXCL12 | |
| SCHEMBL70636 | 0.81 | SHBG (0.55) | SIRT1SHBGTHRBPTGS1PTGS2 | |
| SCHEMBL15368850 | 0.81 | PTGS1 (0.52) | SIRT1SHBGTHRBPTGS1PTGS2 | |
| Hydrochloric Acid SCHEMBL2455453 | 0.81 | CA1 (0.48) | SHBGPTGS1PTGS2HMGB1CXCL12 | |
| SCHEMBL8445153 | 0.79 | PTGS1 (0.43) | SIRT1SHBGTHRBPTGS1PTGS2 | |
| SCHEMBL3032085 | 0.79 | SHBG (0.53) | SIRT1SHBGTHRBPTGS1PTGS2 | |
| SCHEMBL7045831 | 0.77 | SHBG (0.41) | SHBGPTGS1PTGS2HMGB1CXCL12 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1685113-B1 | SUBSTITUTED PYRAZOLES AS PPAR AGONISTS | SMITHKLINE BEECHAM CORP (US) | 2008-07-30 | — | — | EP | disclosed |
| US-20080021030-A1 | Substituted Pyrazoles As Ppar Agonists | SMITHKLINE BEECHAM CORPORATION | 2008-01-24 | — | — | US | disclosed |
| EP-1685113-A1 | SUBSTITUTED PYRAZOLES AS PPAR AGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2006-08-02 | — | — | EP | disclosed |
| WO-2005049578-A1 | SUBSTITUTED PYRAZOLES AS PPAR AGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2005-06-02 | — | — | WO | 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-20080021030-A1 | Substituted Pyrazoles As Ppar Agonists | PPARD, PPARA, PPARG | SIRT1 835/4885SHBG 1408/4885THRB 335/4885 |
“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.