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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHKA known ✓ | P35790 | 11/20 | 0.56 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.51 |
| ▸ | BCHE | P06276 | 1/20 | 0.51 |
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 SCHEMBL15923659 | 0.83 | CHKA (0.45) | CHKABCHEACHE | |
| Bromide SCHEMBL3040545 | 0.83 | KMT2A (0.49) | ACHE | |
| SCHEMBL3040650 | 0.82 | MEN1 (0.50) | ACHE | |
| SCHEMBL10062536 | 0.74 | CHKA (0.84) | CHKABCHEACHE | |
| SCHEMBL19567594 | 0.74 | USP2 (0.51) | ACHE | |
| SCHEMBL12436513 | 0.73 | S1PR1 (0.70) | ACHE | |
| SCHEMBL15921878 | 0.72 | SPHK1 (0.76) | ACHE | |
| Hydrochloric Acid SCHEMBL11435603 | 0.71 | CHKA (0.66) | CHKAACHE | |
| SCHEMBL22537523 | 0.70 | USP2 (0.54) | ACHE | |
| Hydrochloric Acid SCHEMBL261263 | 0.70 | SMN1; SMN2 (0.38) | CHKABCHEACHE |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014118556-A2 | SELECTIVE INHIBITORS AND ALLOSTERIC ACTIVATORS OF SPHINGOSINE KINASE | RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) | 2014-08-07 | — | — | WO | disclosed |