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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.52 |
| ▸ | PRKCI | P41743 | 1/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 5/20 | 0.45 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.45 |
| ▸ | GSK3B | P49841 | 3/20 | 0.45 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.45 |
| ▸ | RPS6KA5 | O75582 | 2/20 | 0.45 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.45 |
| ▸ | PRKACA | P17612 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | GSK3A | P49840 | 2/20 | 0.45 |
| ▸ | PRKX | P51817 | 2/20 | 0.45 |
| ▸ | PRKG1 | Q13976 | 2/20 | 0.45 |
| ▸ | PKN2 | Q16513 | 2/20 | 0.45 |
| ▸ | SGK2 | Q9HBY8 | 2/20 | 0.45 |
| ▸ | AKT1 | P31749 | 2/20 | 0.45 |
| ▸ | PRKCG | P05129 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Pyridine SCHEMBL1581039 | 0.88 | CA1 (0.46) | NOTUMMAPTLMNACA1CA2 | |
| SCHEMBL219668 | 0.81 | CA1 (0.56) | CA1CA2HSD17B10 | |
| SCHEMBL257595 | 0.77 | CA1 (0.50) | LMNACA1CA2RAB9A | |
| Boric Acid SCHEMBL31391090 | 0.77 | NOTUM (0.79) | NOTUMPRKCIGSK3BPRKACAAKT1 | |
| Ethylene Glycol SCHEMBL8392416 | 0.74 | CA1 (0.50) | MAPTLMNACA1CA2 | |
| Dipyridyl SCHEMBL1897600 | 0.74 | KDM4E (0.56) | MAPK1MAPTLMNACA1CA2 | |
| Bromide SCHEMBL10968966 | 0.73 | NOTUM (0.94) | NOTUMGSK3BPRKACAAKT1RPS6KB1 | |
| SCHEMBL12030986 | 0.72 | AGXT (0.50) | PRKCICA1CA2 | |
| Pyridine SCHEMBL10928167 | 0.71 | NOTUM (0.88) | NOTUMGSK3BPRKACAAKT1RPS6KB1 | |
| SCHEMBL25377641 | 0.71 | CA1 (0.46) | LMNACA1CA2SLC6A2CYP1A2 |
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-1960779-A2 | OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS-II | The Regents of the University of California (US) | 2008-08-27 | — | — | EP | disclosed |
| WO-2007067743-A2 | OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS-II | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2007-06-14 | — | — | WO | disclosed |