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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.46 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 13/20 | 0.57 |
| ▸ | CA1 | P00915 | 13/20 | 0.57 |
| ▸ | CA2 | P00918 | 13/20 | 0.57 |
| ▸ | CA9 | Q16790 | 13/20 | 0.57 |
| ▸ | CA14 | Q9ULX7 | 10/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.46 |
| ▸ | FYN | P06241 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.44 |
| ▸ | PRKCA | P17252 | 1/20 | 0.43 |
| ▸ | AKT1 | P31749 | 1/20 | 0.43 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.43 |
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 SCHEMBL5743154 | 0.99 | CA12 (0.60) | CA12CA1CA2CA9CA14 | |
| Bromide SCHEMBL5739204 | 0.99 | CA12 (0.60) | CA12CA1CA2CA9CA14 | |
| Bromide SCHEMBL2586422 | 0.99 | CA12 (0.60) | CA12CA1CA2CA9CA14 | |
| SCHEMBL7623838 | 0.97 | CA12 (0.61) | CA12CA1CA2CA9CA14 | |
| Hydrochloric Acid SCHEMBL5741360 | 0.86 | LMNA (0.50) | CA12CA1CA2CA9CA14 | |
| Bromide SCHEMBL10714182 | 0.85 | CA12 (0.60) | CA12CA1CA2CA9CA14 | |
| SCHEMBL13480225 | 0.83 | CA12 (0.67) | CA12CA1CA2CA9CA14 | |
| SCHEMBL13163929 | 0.83 | CA12 (0.67) | CA12CA1CA2CA9CA14 | |
| SCHEMBL7151935 | 0.83 | CA12 (0.67) | CA12CA1CA2CA9CA14 | |
| SCHEMBL7151688 | 0.83 | CA12 (0.67) | CA12CA1CA2CA9CA14 |
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 |
|---|---|---|---|---|---|---|---|
| US-4645756-A | ANTITUMOR, ANTICANCER AGENT | SMITH KLINE BECKMAN CORPORATION (US) | 1987-02-24 | — | — | US | disclosed |
| EP-0189306-A2 | [alpha, omega-bis(diphenylphosphino)hydrocarbon]bis[(thiosugar)-gold]and bis[selenosugar)gold]derivatives | SMITHKLINE BEECHAM CORPORATION (US) | 1986-07-30 | — | — | EP | disclosed |