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 | |
|---|---|---|---|---|
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.39 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.88 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.88 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.88 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.88 |
| ▸ | TSHR | P16473 | 1/20 | 0.88 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.54 |
| ▸ | CPA3 | P15088 | 1/20 | 0.46 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL174432 | 0.96 | ALDH1A1 (0.96) | ALDH1A1CYP2D6CYP2C19CYP1A2TSHR | |
| Bromide SCHEMBL12497328 | 0.96 | ALDH1A1 (0.96) | ALDH1A1CYP2D6CYP2C19CYP1A2TSHR | |
| SCHEMBL30793417 | 0.94 | ALDH1A1 (1.00) | ALDH1A1CYP2D6CYP2C19CYP1A2TSHR | |
| Water SCHEMBL11301878 | 0.92 | ALDH1A1 (0.96) | ALDH1A1CYP2D6CYP2C19CYP1A2TSHR | |
| Hydrochloric Acid SCHEMBL845765 | 0.92 | ALDH1A1 (0.96) | ALDH1A1CYP2D6CYP2C19CYP1A2TSHR | |
| Bromide SCHEMBL484781 | 0.84 | ALDH1A1 (0.74) | ALDH1A1CYP2D6CYP2C19CYP1A2TSHR | |
| Bromide SCHEMBL163452 | 0.82 | ALDH1A1 (0.71) | ALDH1A1CYP2D6CYP2C19CYP1A2TSHR | |
| SCHEMBL31204098 | 0.82 | ALDH1A1 (0.77) | ALDH1A1CYP2D6CYP2C19CYP1A2TSHR | |
| Bromide SCHEMBL2854923 | 0.81 | TSHR (0.69) | ALDH1A1CYP2D6CYP2C19CYP1A2TSHR | |
| Bromide SCHEMBL5573865 | 0.81 | TSHR (0.69) | ALDH1A1CYP2D6CYP2C19CYP1A2TSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-103237795-B | Substituted oxadiazole compounds and their use as S1P1Use of agonists | BRISTOL-MYERS SQUIBB CO. (US) | 2015-10-21 | — | — | CN | disclosed |