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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | CA1 | P00915 | 4/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA7 | P43166 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | GRM5 | P41594 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.40 |
| ▸ | AGXT | P21549 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | NAAA | Q02083 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11176528 | 0.78 | TSHR (0.56) | TSHRGRM5NPC1MAPTALDH1A1 | |
| SCHEMBL7884716 | 0.78 | TSHR (0.56) | TSHRCA1CA2CA7CA9 | |
| Hydrochloric Acid SCHEMBL8328150 | 0.76 | TSHR (0.54) | TSHRCA1CA2CA7CA9 | |
| Bromide SCHEMBL27599970 | 0.75 | TSHR (0.94) | TSHRCA1CA2CA7CA9 | |
| Hydrogen Peroxide SCHEMBL28758135 | 0.75 | TSHR (0.94) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL1085961 | 0.74 | TSHR (0.52) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL1170286 | 0.73 | TSHR (0.56) | TSHRGRM5NPC1MAPTALDH1A1 | |
| SCHEMBL7743268 | 0.72 | TSHR (0.61) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL231282 | 0.72 | TSHR (0.61) | TSHRGRM5NPC1MAPTALDH1A1 | |
| SCHEMBL29346470 | 0.72 | TSHR (0.61) | TSHRCA1CA2CA7CA9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE39576-E1 | Enzyme inhibitors | SMITHKLINE BEECHAM CORPORATION (US) | 2007-04-17 | — | — | US | disclosed |
| EP-0765308-A1 | ENZYME INHIBITORS | THE WELLCOME FOUNDATION LIMITED (GB) | 1997-04-02 | — | — | EP | disclosed |
| WO-1995034534-A1 | ENZYME INHIBITORS | THE WELLCOME FOUNDATION LIMITED (GB) | 1995-12-21 | — | — | WO | disclosed |