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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.58 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | TTPA | P49638 | 4/20 | 0.51 |
| ▸ | PSEN1 | P49768 | 7/20 | 0.50 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.48 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30951065 | 0.86 | PTGS1 (0.64) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL29242846 | 0.86 | PTGS1 (0.64) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL14360028 | 0.86 | PTGS1 (0.64) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL2393197 | 0.84 | PTGS1 (0.68) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL30951067 | 0.84 | PTGS1 (0.68) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL30951066 | 0.84 | PSEN1 (0.66) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL15851248 | 0.84 | PSEN1 (0.66) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL3027394 | 0.83 | PTGS1 (0.60) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL16207664 | 0.82 | PSEN1 (0.72) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL16207528 | 0.82 | PSEN1 (0.72) | PTGS1PTGS2CYP1A2CYP3A4TSHR |
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-2006055404-A2 | COMPOUNDS FOR TARGETING MECHANISMS IMPLICATED IN THE PROGRESSION OF STROKE | MERCK & CO., INC. (US) | 2006-05-26 | — | — | WO | disclosed |