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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 4/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.33 |
| ▸ | MAP2K7 | O14733 | 1/20 | 0.33 |
| ▸ | CDC25A | P30304 | 1/20 | 0.33 |
| ▸ | CDC25B | P30305 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6057042 | 0.98 | CA2 (0.38) | CA2RAB9ATDP1CYP3A4TSHR | |
| SCHEMBL9550554 | 0.86 | CA2 (0.38) | CA2RAB9ATDP1CYP3A4TSHR | |
| SCHEMBL12313461 | 0.86 | CA2 (0.38) | CA2RAB9ATDP1CYP3A4TSHR | |
| SCHEMBL15417419 | 0.85 | MAPK1 (0.40) | CA2RAB9ATDP1CYP3A4TSHR | |
| SCHEMBL18486539 | 0.83 | MAPK1 (0.39) | CA2RAB9ATDP1HPGDMAPK1 | |
| SCHEMBL18486723 | 0.82 | MAPK1 (0.38) | CA2TDP1HPGDMAPK1MEN1 | |
| SCHEMBL18486569 | 0.82 | MAPK1 (0.38) | CA2TDP1HPGDMAPK1MEN1 | |
| SCHEMBL18486599 | 0.82 | MAPK1 (0.38) | CA2TDP1HPGDMAPK1MEN1 | |
| SCHEMBL7080313 | 0.80 | CA2 (0.38) | CA2RAB9ATDP1CYP3A4TSHR | |
| SCHEMBL2227767 | 0.79 | TDP1 (0.39) | TDP1CYP3A4TSHRMAPK1MEN1 |
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-111148750-A | Azithromycin derivatives containing phosphonium ions as anticancer agents | 来兴泰德基金会 | 2020-05-12 | — | — | CN | disclosed |