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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.65 |
| ▸ | DNM1 | Q05193 | 4/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.39 |
| ▸ | KDM5A | P29375 | 2/20 | 0.38 |
| ▸ | PHF8 | Q9UPP1 | 2/20 | 0.38 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
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 SCHEMBL5551000 | 1.00 | TSHR (0.65) | TSHRALDH1A1DNM1TDP1THRB | |
| Bromide SCHEMBL5550586 | 1.00 | TSHR (0.65) | TSHRALDH1A1DNM1TDP1THRB | |
| SCHEMBL1883604 | 0.97 | TSHR (0.68) | TSHRALDH1A1DNM1TDP1THRB | |
| SCHEMBL1885691 | 0.97 | TSHR (0.68) | TSHRALDH1A1DNM1TDP1THRB | |
| SCHEMBL28337020 | 0.97 | TSHR (0.68) | TSHRALDH1A1DNM1TDP1THRB | |
| SCHEMBL28571943 | 0.92 | TSHR (0.60) | TSHRALDH1A1DNM1TDP1THRB | |
| SCHEMBL28573267 | 0.92 | TSHR (0.60) | TSHRALDH1A1DNM1TDP1THRB | |
| SCHEMBL6945510 | 0.92 | TSHR (0.60) | TSHRALDH1A1DNM1TDP1KCNH2 | |
| SCHEMBL21842845 | 0.92 | TSHR (0.60) | TSHRALDH1A1DNM1TDP1THRB | |
| SCHEMBL28820796 | 0.92 | TSHR (0.60) | TSHRALDH1A1DNM1TDP1THRB |
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-5969090-A | QUATERNIZED CROSSLINKED HYDROCARBON AMINE POLYMER | GELTEX PHARMACEUTICALS, INC. (US) | 1999-10-19 | — | — | US | disclosed |
| EP-0830390-A1 | HYDROPHOBIC HETEROATOM-CONTAINING SEQUESTRANT FOR CHOLESTEROL DEPLETION | GELTEX PHARMACEUTICALS, INC. (US) | 1998-03-25 | — | — | EP | disclosed |
| WO-1996039449-A1 | HYDROPHOBIC HETEROATOM-CONTAINING SEQUESTRANT FOR CHOLESTEROL DEPLETION | GELTEX PHARMACEUTICALS, INC. (US) | 1996-12-12 | — | — | WO | disclosed |