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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 7/20 | 0.39 |
| ▸ | CHRM1 known ✓ | P11229 | 5/20 | 0.39 |
| ▸ | CHRM4 known ✓ | P08173 | 4/20 | 0.39 |
| ▸ | CHRM3 known ✓ | P20309 | 4/20 | 0.39 |
| ▸ | CHRM5 known ✓ | P08912 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | NPY5R | Q15761 | 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 | |
|---|---|---|---|---|
| SCHEMBL177205 | 0.94 | — | — | |
| SCHEMBL12476221 | 0.94 | CHRM2 (0.42) | CHRM2CHRM1CHRM4CHRM3CHRM5 | |
| SCHEMBL27563919 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL28064630 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL28770241 | 0.92 | — | — | |
| SCHEMBL28780475 | 0.92 | — | — | |
| Bromide SCHEMBL28401687 | 0.89 | — | — | |
| SCHEMBL25500893 | 0.86 | CHRM2 (0.42) | CHRM2CHRM1CHRM4CHRM3CHRM5 | |
| SCHEMBL13034079 | 0.84 | CYP19A1 (0.43) | CHRM2CHRM1CHRM4CHRM3CHRM5 | |
| SCHEMBL751342 | 0.84 | CHRM2 (0.37) | CHRM2CHRM1CHRM4CHRM3CHRM5 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112624921-A | Synthesis method and application of 1-hydroxymethyl cyclopropyl acetic acid | 牡丹江恒远药业股份有限公司 | 2021-04-09 | — | — | CN | claimed |
| CN-111072475-A | Synthesis method and application of 1-hydroxymethyl cyclopropyl acetic acid | 牡丹江恒远药业股份有限公司 | 2020-04-28 | — | — | CN | claimed |
| CN-112624921-A | Synthesis method and application of 1-hydroxymethyl cyclopropyl acetic acid | 牡丹江恒远药业股份有限公司 | 2021-04-09 | — | — | CN | disclosed |
| CN-112624921-A | Synthesis method and application of 1-hydroxymethyl cyclopropyl acetic acid | 牡丹江恒远药业股份有限公司 | 2021-04-09 | — | — | CN | disclosed |
| CN-111072475-A | Synthesis method and application of 1-hydroxymethyl cyclopropyl acetic acid | 牡丹江恒远药业股份有限公司 | 2020-04-28 | — | — | CN | disclosed |
| CN-111072475-A | Synthesis method and application of 1-hydroxymethyl cyclopropyl acetic acid | 牡丹江恒远药业股份有限公司 | 2020-04-28 | — | — | CN | disclosed |