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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL40305 | 0.97 | ALDH1A1 (0.33) | ALDH1A1SMN1; SMN2HSD11B1CYP2C9MAPT | |
| SCHEMBL17352397 | 0.97 | ALDH1A1 (0.33) | ALDH1A1SMN1; SMN2HSD11B1CYP2C9MAPT | |
| SCHEMBL29078823 | 0.94 | ALDH1A1 (0.32) | ALDH1A1SMN1; SMN2HSD11B1CYP2C9MAPT | |
| Methane SCHEMBL28789658 | 0.94 | ALDH1A1 (0.32) | ALDH1A1SMN1; SMN2HSD11B1CYP2C9MAPT | |
| Bromide SCHEMBL7549893 | 0.92 | ALDH1A1 (0.31) | ALDH1A1SMN1; SMN2HSD11B1 | |
| SCHEMBL18024971 | 0.78 | HSD11B1 (0.30) | HSD11B1 | |
| SCHEMBL20877606 | 0.78 | HSD11B1 (0.30) | HSD11B1 | |
| Acrylic Acid SCHEMBL27139580 | 0.78 | LMNA (0.40) | HSD11B1CYP2C9 | |
| Methacrylic Acid SCHEMBL2111774 | 0.78 | HSD11B1 (0.35) | SMN1; SMN2HSD11B1 | |
| SCHEMBL21425589 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2002053522-A | METHOD FOR PRODUCING 2-ALKYL-2-ADAMANTYL ESTER | TOKUYAMA CORP | 2002-02-19 | — | — | JP | disclosed |