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 | |
|---|---|---|---|---|
| ▸ | ELANE | P08246 | 2/20 | 0.49 |
| ▸ | CHEK2 | O96017 | 6/20 | 0.48 |
| ▸ | RPS6KA2 | Q15349 | 2/20 | 0.43 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4593453 | 0.99 | ELANE (0.50) | ELANECHEK2RPS6KA2CHEK1CYP1A2 | |
| SCHEMBL1121299 | 0.83 | ELANE (0.47) | ELANECHEK2RPS6KA2CYP1A2CLK4 | |
| SCHEMBL3577759 | 0.81 | ELANE (0.49) | ELANECHEK2RPS6KA2CYP1A2CLK4 | |
| SCHEMBL1121470 | 0.80 | ELANE (0.45) | ELANECHEK2RPS6KA2CYP1A2CLK4 | |
| SCHEMBL1121774 | 0.80 | CYP1A2 (0.50) | ELANECHEK2RPS6KA2CHEK1CYP1A2 | |
| SCHEMBL1121458 | 0.80 | RPS6KA2 (0.57) | ELANERPS6KA2CYP1A2CLK4ALDH1A1 | |
| SCHEMBL13543060 | 0.78 | RPS6KA2 (0.44) | ELANERPS6KA2CYP1A2CLK4ALDH1A1 | |
| Bromide SCHEMBL3570691 | 0.78 | OPRK1 (0.52) | ELANECYP1A2CLK4ALDH1A1 | |
| SCHEMBL1121543 | 0.78 | ELANE (0.45) | ELANERPS6KA2CYP1A2CLK4ALDH1A1 | |
| SCHEMBL3577272 | 0.76 | OPRK1 (0.53) | ELANECYP1A2CLK4ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1924579-B1 | BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2011-02-09 | — | — | EP | disclosed |
| US-20090163517-A1 | BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES | BINGGELI ALFRED | 2009-06-25 | — | — | US | disclosed |
| EP-1924579-A2 | BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2008-05-28 | — | — | EP | disclosed |
| US-20070093521-A1 | Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2007-04-26 | — | — | US | disclosed |
| WO-2007025897-A2 | BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2007-03-08 | — | — | 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 (2 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-20090163517-A1 | BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES | SSTR5, NPY5R, NPY1R | ELANE 2772/4885CHEK2 3986/4885RPS6KA2 2549/4885 |
| US-20070093521-A1 | Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives | SSTR5, NPY5R, NPY1R | ELANE 2772/4885CHEK2 3986/4885RPS6KA2 2549/4885 |
“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.