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 | 1/20 | 0.33 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 known ✓ | P08173 | 1/20 | 0.33 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.33 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | ALPL | P05186 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | ALPG | P10696 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2743760 | 0.99 | TSHR (0.41) | TSHRTHRBALDH1A1KDM4ETDP1 | |
| Fluoride Ion SCHEMBL29161106 | 0.97 | TSHR (0.40) | TSHRTHRBALDH1A1KDM4ETDP1 | |
| Iodide SCHEMBL29161127 | 0.97 | TSHR (0.40) | TSHRTHRBALDH1A1KDM4ETDP1 | |
| Hydrochloric Acid SCHEMBL1683544 | 0.97 | ALDH1A1 (0.40) | TSHRTHRBALDH1A1KDM4ETDP1 | |
| Ethyl Chloride SCHEMBL5032976 | 0.93 | TSHR (0.37) | TSHRTHRBALDH1A1KDM4ETDP1 | |
| Bromide SCHEMBL7764517 | 0.90 | ALDH1A1 (0.38) | ALDH1A1KDM4ECYP3A4PTGS2RAB9A | |
| Trifluoromethanesulfonic Acid SCHEMBL28002969 | 0.88 | TSHR (0.33) | TSHRTHRBALDH1A1ALPLPOLB | |
| Hydrochloric Acid SCHEMBL3196326 | 0.87 | ALDH1A1 (0.38) | ALDH1A1KDM4ECYP3A4PTGS2RAB9A | |
| SCHEMBL6562054 | 0.87 | THRB (0.38) | TSHRTHRBPOLBACHE | |
| Hydrochloric Acid SCHEMBL7605623 | 0.86 | THRB (0.37) | TSHRTHRB |
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 |
|---|---|---|---|---|---|---|---|
| CN-117586645-A | Coloring composition containing dioxazine pigment and color filter | 大塚化学株式会社 | 2024-02-23 | — | — | CN | disclosed |
| CN-107964071-B | Water-dispersible polymers and their use | 清华大学 | 2020-02-21 | — | — | CN | disclosed |
| CN-107964070-B | Water-soluble polymer and application thereof | 清华大学 | 2020-02-18 | — | — | CN | disclosed |