Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 | 6/20 | 0.48 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.46 |
| ▸ | CHRM4 known ✓ | P08173 | 1/20 | 0.46 |
| ▸ | CHRM5 known ✓ | P08912 | 1/20 | 0.46 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.46 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | APEX1 | P27695 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | BCHE | P06276 | 5/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | EGFR | P00533 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.46 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.46 |
| ▸ | LCK | P06239 | 1/20 | 0.46 |
| ▸ | FYN | P06241 | 1/20 | 0.46 |
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 SCHEMBL345541 | 1.00 | TSHR (0.54) | TSHRHTTPOLBAPEX1TDP1 | |
| Bromide SCHEMBL7056467 | 1.00 | TSHR (0.54) | TSHRHTTPOLBAPEX1TDP1 | |
| Bromide SCHEMBL31748176 | 1.00 | TSHR (0.54) | TSHRHTTPOLBAPEX1TDP1 | |
| Bromide SCHEMBL31748172 | 1.00 | TSHR (0.54) | TSHRHTTPOLBAPEX1TDP1 | |
| SCHEMBL6397609 | 0.98 | TSHR (0.56) | TSHRHTTPOLBAPEX1TDP1 | |
| Hydrochloric Acid SCHEMBL7055391 | 0.98 | TSHR (0.56) | TSHRHTTPOLBAPEX1TDP1 | |
| Hydrochloric Acid SCHEMBL9132796 | 0.98 | TSHR (0.56) | TSHRHTTPOLBAPEX1TDP1 | |
| Hydrochloric Acid SCHEMBL1032458 | 0.98 | TSHR (0.56) | TSHRHTTPOLBAPEX1TDP1 | |
| SCHEMBL6860941 | 0.98 | TSHR (0.56) | TSHRHTTPOLBAPEX1TDP1 | |
| Hydrochloric Acid SCHEMBL346360 | 0.98 | TSHR (0.56) | TSHRHTTPOLBAPEX1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0865785-B1 | Antimicrobial caries-detecting composition | KURARAY CO (JP) | 2003-05-14 | — | — | EP | disclosed |
| US-6337357-B1 | MICROBIOCIDES, SOLVENTS, CARRIES AND DENTISTRY | KURARAY CO., LTD. (JP) | 2002-01-08 | — | — | US | disclosed |
| EP-0865785-A2 | Antimicrobial caries-detecting composition | KURARAY CO., LTD. (JP) | 1998-09-23 | — | — | EP | disclosed |