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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3819175 | 0.98 | SIRT3 (0.38) | SIRT3TDP1GAACYP1A2CYP2E1 | |
| SCHEMBL4048670 | 0.84 | SIRT3 (0.34) | SIRT3TDP1GAACYP3A4 | |
| SCHEMBL6118889 | 0.79 | RPS6KA3 (0.36) | — | |
| SCHEMBL27626766 | 0.78 | SIRT3 (0.39) | SIRT3TDP1GAACYP1A2CYP2E1 | |
| SCHEMBL7358831 | 0.76 | CDC25B (0.36) | GAA | |
| SCHEMBL27614985 | 0.76 | SIRT3 (0.35) | SIRT3TDP1GAACYP1A2CYP2E1 | |
| Hydrochloric Acid SCHEMBL3976304 | 0.75 | SIRT3 (0.37) | SIRT3TDP1GAACYP1A2CYP2E1 | |
| Bromide SCHEMBL4936805 | 0.75 | LOXL2 (0.35) | — | |
| SCHEMBL4052201 | 0.74 | CCNC (0.38) | CYP3A4 | |
| SCHEMBL27996959 | 0.73 | SIRT3 (0.37) | SIRT3TDP1GAACYP1A2CYP2E1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2885306-A1 | IMIDAZO[2,1]THIAZOL-3-ONE DERIVATIVES USEFUL AS DIAGNOSTIC AGENTS FOR ALZHEIMER'S DISEASE | F. Hoffmann-La Roche AG (CH) | 2015-06-24 | — | — | EP | disclosed |
| WO-2014026881-A1 | IMIDAZO[2,1]THIAZOL-3-ONE DERIVATIVES USEFUL AS DIAGNOSTIC AGENTS FOR ALZHEIMER'S DISEASE | F. HOFFMANN-LA ROCHE AG (CH) | 2014-02-20 | — | — | WO | disclosed |
| EP-1539722-A1 | THIAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2005-06-15 | — | — | EP | disclosed |
| EP-1480976-A1 | THIAZOLE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2004-12-01 | — | — | EP | disclosed |
| EP-1438046-A4 | THIAZOLE BENZAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING CELL PROLIFERATION, AND METHODS FOR THEIR USE | AGOURON PHARMA (US) | 2004-10-20 | — | — | EP | disclosed |
| EP-1438046-A2 | THIAZOLE BENZAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING CELL PROLIFERATION, AND METHODS FOR THEIR USE | AGOURON PHARMACEUTICALS, INC. (US) | 2004-07-21 | — | — | EP | disclosed |
| WO-2004014884-A1 | THIAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2004-02-19 | — | — | WO | disclosed |
| WO-2003072577-A1 | THIAZOLE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2003-09-04 | — | — | WO | disclosed |
| WO-2003004467-A2 | THIAZOLE BENZAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING CELL PROLIFERATION, AND METHODS FOR THEIR USE | AGOURON PHARMACEUTICALS, INC. (US) | 2003-01-16 | — | — | WO | disclosed |