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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SSTR5 | P35346 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | FBP1 | P09467 | 5/20 | 0.44 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | FAAH | O00519 | 3/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13543026 | 0.99 | SSTR5 (0.48) | SSTR5HDAC6FBP1IRAK4KCNH2 | |
| Bromide SCHEMBL3573505 | 0.90 | SSTR5 (0.49) | SSTR5FBP1IRAK4MAPT | |
| SCHEMBL13543027 | 0.88 | SSTR5 (0.50) | SSTR5FBP1IRAK4MAPT | |
| SCHEMBL13436761 | 0.85 | HDAC6 (0.62) | SSTR5HDAC6FAAH | |
| Bromide SCHEMBL1121793 | 0.84 | HDAC6 (0.49) | HDAC6FAAH | |
| Bromide SCHEMBL4949234 | 0.84 | SSTR5 (0.46) | SSTR5FBP1IRAK4MAPT | |
| SCHEMBL13543034 | 0.83 | HDAC6 (0.47) | SSTR5HDAC6FAAH | |
| SCHEMBL4594256 | 0.83 | HDAC6 (0.50) | HDAC6FAAH | |
| Hydrochloric Acid SCHEMBL4947954 | 0.82 | HDAC6 (0.46) | SSTR5HDAC6FAAH | |
| Hydrochloric Acid SCHEMBL27695367 | 0.82 | HDAC6 (0.46) | SSTR5HDAC6FAAH |
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 |
|---|---|---|---|---|---|---|---|
| US-7645753-B2 | Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2010-01-12 | — | — | US | disclosed |
| EP-1858901-B1 | BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2008-11-05 | — | — | EP | disclosed |
| EP-1858901-A1 | BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2007-11-28 | — | — | EP | disclosed |
| WO-2006094682-A1 | BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-09-14 | — | — | WO | disclosed |
| US-20060205718-A1 | Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2006-09-14 | — | — | 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-20060205718-A1 | Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives | SSTR5, SSTR1, SSTR2 | SSTR5 1/4885HDAC6 1733/4885FBP1 1423/4885 |
“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.