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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.48 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | CA1 | P00915 | 4/20 | 0.58 |
| ▸ | CA2 | P00918 | 4/20 | 0.58 |
| ▸ | CA9 | Q16790 | 4/20 | 0.58 |
| ▸ | CA7 | P43166 | 3/20 | 0.58 |
| ▸ | CA12 | O43570 | 2/20 | 0.58 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.58 |
| ▸ | CA4 | P22748 | 1/20 | 0.58 |
| ▸ | NFE2L2 | Q16236 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL27753904 | 0.97 | CA1 (0.61) | SMN1; SMN2CA1CA2CA9CA7 | |
| SCHEMBL25434306 | 0.97 | CA1 (0.61) | SMN1; SMN2CA1CA2CA9CA7 | |
| SCHEMBL151213 | 0.97 | CA1 (0.61) | SMN1; SMN2CA1CA2CA9CA7 | |
| Ammonia Solution, Strong SCHEMBL4268652 | 0.94 | SMN1; SMN2 (0.58) | SMN1; SMN2CA1CA2CA9CA7 | |
| Hydrochloric Acid SCHEMBL31658961 | 0.94 | SMN1; SMN2 (0.58) | SMN1; SMN2CA1CA2CA9CA7 | |
| SCHEMBL27731704 | 0.94 | SMN1; SMN2 (0.58) | SMN1; SMN2CA1CA2CA9CA7 | |
| Methylamine SCHEMBL27494863 | 0.92 | SMN1; SMN2 (0.56) | SMN1; SMN2CA1CA2CA9CA7 | |
| Bromomethane SCHEMBL27848237 | 0.92 | SMN1; SMN2 (0.56) | SMN1; SMN2CA1CA2CA9CA7 | |
| Bromide SCHEMBL1307432 | 0.92 | SMN1; SMN2 (0.56) | SMN1; SMN2CA1CA2CA9CA7 | |
| SCHEMBL10900697 | 0.89 | SMN1; SMN2 (0.54) | SMN1; SMN2CA1CA2CA9CA7 |
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-106794174-A | Compounds for the treatment of cancer | GTX公司 | 2017-05-31 | — | — | CN | disclosed |