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 | |
|---|---|---|---|---|
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 0.40 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.40 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.39 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 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 SCHEMBL9522591 | 0.77 | SLC6A2 (0.45) | GSK3BCYP1A2ALDH1A1MEN1KMT2A | |
| SCHEMBL6355812 | 0.75 | SLC6A2 (0.47) | GSK3BCYP1A2ALDH1A1MEN1KMT2A | |
| Propionic Acid SCHEMBL27927616 | 0.75 | CYP1A2 (0.55) | GSK3BCYP1A2ALDH1A1CYP3A4GAA | |
| SCHEMBL506747 | 0.73 | KCNA5 (0.50) | CYP1A2ALDH1A1CYP3A4GAAMEN1 | |
| SCHEMBL177936 | 0.73 | SLC6A2 (0.45) | GSK3BCYP1A2ALDH1A1CYP3A4MEN1 | |
| Bromide SCHEMBL18632030 | 0.72 | SLC6A2 (0.52) | GSK3BCYP1A2CYP3A4MEN1KMT2A | |
| SCHEMBL4099842 | 0.72 | — | — | |
| SCHEMBL744779 | 0.72 | GSK3B (0.48) | GSK3BCYP1A2ALDH1A1CYP3A4GAA | |
| SCHEMBL3638184 | 0.72 | GSK3B (0.48) | GSK3BCYP1A2ALDH1A1CYP3A4GAA | |
| SCHEMBL29157757 | 0.72 | SLC6A2 (0.44) | GSK3BCYP1A2ALDH1A1KDM4ESLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102083821-B | Hepatitis c virus inhibitors | BRISTOL MYERS SQUIBB CO | 2014-09-17 | — | — | CN | disclosed |
| CN-103936819-A | Hepatitis c virus inhibitors | BRISTOL MYERS SQUIBB CO | 2014-07-23 | — | — | CN | disclosed |