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 | |
|---|---|---|---|---|
| ▸ | SLC5A2 | P31639 | 5/20 | 0.47 |
| ▸ | SLC5A1 | P13866 | 2/20 | 0.45 |
| ▸ | NQO1 | P15559 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27961326 | 0.78 | LTA4H (0.58) | SLC5A2SLC5A1NQO1SMN1; SMN2KDM4E | |
| SCHEMBL6545404 | 0.77 | TP53 (0.53) | NQO1SMN1; SMN2KDM4EHPGDLMNA | |
| SCHEMBL2119704 | 0.75 | SLC5A2 (0.51) | SLC5A2SLC5A1 | |
| SCHEMBL27937229 | 0.75 | LTA4H (0.60) | SLC5A2SLC5A1SMN1; SMN2HPGDLMNA | |
| SCHEMBL1539283 | 0.75 | SLC5A2 (0.49) | SLC5A2SLC5A1NQO1SMN1; SMN2LMNA | |
| SCHEMBL10062561 | 0.75 | LTA4H (0.63) | NQO1SMN1; SMN2HPGDLMNARELA | |
| SCHEMBL2488793 | 0.75 | NQO1 (0.74) | NQO1SMN1; SMN2KDM4EHPGDLMNA | |
| Lithium SCHEMBL30593378 | 0.74 | SLC5A2 (0.50) | SLC5A2SLC5A1 | |
| SCHEMBL7609474 | 0.73 | NQO1 (0.64) | NQO1SMN1; SMN2KDM4ERELALTA4H | |
| SCHEMBL7850102 | 0.71 | TP53 (0.42) | SMN1; SMN2LMNATP53CYP1A2ALDH1A1 |
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-2012003811-A1 | C-ARYL GLUCOSIDE SGLT2 INHIBITORS AND METHOD | ZHEJIANG BETA PHARMA INC. (CN) | 2012-01-12 | — | — | WO | disclosed |