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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 12/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL950778 | 0.97 | KIF11 (0.54) | KIF11KCNH2CYP3A4CYP2D6CYP2C9 | |
| Iodide SCHEMBL28747539 | 0.95 | KIF11 (0.52) | KIF11KCNH2CYP3A4CYP2D6CYP2C9 | |
| Tetramethylammonium Ion SCHEMBL28298709 | 0.91 | KIF11 (0.48) | KIF11KCNH2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL28757107 | 0.85 | ESR1 (0.59) | KIF11CYP3A4 | |
| SCHEMBL312177 | 0.85 | ESR1 (0.59) | KIF11CYP3A4 | |
| SCHEMBL1974299 | 0.83 | KIF11 (0.61) | KIF11KCNH2CYP3A4CYP2D6CYP2C9 | |
| Tetrabuthylammonium SCHEMBL28318064 | 0.82 | KIF11 (0.46) | KIF11KCNH2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL15212173 | 0.82 | KIF11 (0.68) | KIF11KCNH2SMN1; SMN2 | |
| SCHEMBL3835118 | 0.81 | KIF11 (0.59) | KIF11KCNH2CYP3A4CYP2D6CYP2C9 | |
| Fluoride SCHEMBL27680958 | 0.81 | KIF11 (0.59) | KIF11KCNH2CYP3A4CYP2D6CYP2C9 |
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-2022105838-A1 | USE OF AMINO ACID POLYMER OR POLYPEPTIDE ANALOG POLYMER IN BONE REPAIR | 华东理工大学 | 2022-05-27 | — | — | WO | disclosed |