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 | 1/20 | 0.42 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.42 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | IRAK4 | Q9NWZ3 | 6/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | NOS2 | P35228 | 1/20 | 0.48 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.46 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1088572 | 0.98 | HRH3 (0.55) | HRH3MAPK1IRAK4CYP1A2CYP2C19 | |
| Hydrochloric Acid SCHEMBL31285892 | 0.97 | HRH3 (0.54) | HRH3MAPK1IRAK4CYP1A2CYP2C19 | |
| Hydrochloric Acid SCHEMBL1307469 | 0.97 | HRH3 (0.54) | HRH3MAPK1IRAK4CYP1A2CYP2C19 | |
| Hydrochloric Acid SCHEMBL22587720 | 0.97 | HRH3 (0.54) | HRH3MAPK1IRAK4CYP1A2CYP2C19 | |
| SCHEMBL25422820 | 0.88 | IRAK4 (0.50) | HRH3MAPK1IRAK4NOS2FLT3 | |
| SCHEMBL13326544 | 0.88 | IRAK4 (0.50) | HRH3MAPK1IRAK4NOS2FLT3 | |
| SCHEMBL30632323 | 0.88 | IRAK4 (0.50) | HRH3MAPK1IRAK4NOS2FLT3 | |
| SCHEMBL6216854 | 0.88 | IRAK4 (0.50) | HRH3MAPK1IRAK4NOS2FLT3 | |
| SCHEMBL17961796 | 0.88 | IRAK4 (0.50) | HRH3MAPK1IRAK4NOS2FLT3 | |
| Hydrochloric Acid SCHEMBL4056190 | 0.87 | IRAK4 (0.49) | HRH3MAPK1IRAK4NOS2ADRA2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |