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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.40 |
| ▸ | CACNA2D1 | P54289 | 4/20 | 0.38 |
| ▸ | CTSA | P10619 | 11/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL3377 | 0.82 | SLC6A2 (0.61) | SLC6A2SLC6A4CACNA2D1 | |
| SCHEMBL5082894 | 0.81 | SLC6A2 (0.62) | SLC6A2SLC6A4CACNA2D1 | |
| SCHEMBL3275633 | 0.68 | CYP1A2 (0.53) | SLC6A2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL5394251 | 0.63 | HTR2A (0.45) | SLC6A2SLC6A4CYP1A2 | |
| SCHEMBL18210773 | 0.63 | CYP1A2 (0.53) | KDM4EALDH1A1HPGDHSD17B10CYP1A2 | |
| Oxalic Acid SCHEMBL6561979 | 0.61 | MRGPRX4 (0.42) | SLC6A4 | |
| SCHEMBL5510892 | 0.61 | CYP1A2 (0.59) | KDM4EALDH1A1HPGDHSD17B10CYP1A2 | |
| SCHEMBL10458485 | 0.60 | ELANE (0.46) | KDM4EALDH1A1CYP1A2 | |
| SCHEMBL17280846 | 0.60 | SLC7A5 (0.44) | SLC6A2SLC6A4CACNA2D1 | |
| SCHEMBL25739551 | 0.59 | CTSA (0.45) | CTSA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005079284-A2 | METHODS AND REAGENTS FOR THE TREATMENT OF DISEASES AND DISORDERS ASSOCIATED WITH INCREASED LEVELS OF PROINFLAMMATORY CYTOKINES | COMBINATORX, INCORPORATED (US) | 2005-09-01 | — | — | WO | disclosed |