Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
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 | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
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 SCHEMBL8743411 | 1.00 | TRPV1 (0.50) | TRPV1ALDH1A1ALOX15 | |
| SCHEMBL9703944 | 0.84 | TRPV1 (0.47) | TRPV1ALDH1A1ALOX15 | |
| SCHEMBL9703951 | 0.84 | TRPV1 (0.47) | TRPV1ALDH1A1ALOX15 | |
| SCHEMBL9704877 | 0.80 | TRPV1 (0.46) | TRPV1ALDH1A1ALOX15 | |
| SCHEMBL10688378 | 0.80 | TRPV1 (0.46) | TRPV1ALDH1A1ALOX15 | |
| SCHEMBL9703954 | 0.79 | TRPV1 (0.45) | TRPV1ALDH1A1ALOX15 | |
| SCHEMBL9703121 | 0.77 | TRPV1 (0.46) | TRPV1ALDH1A1ALOX15 | |
| SCHEMBL9703133 | 0.77 | TRPV1 (0.46) | TRPV1ALDH1A1ALOX15 | |
| SCHEMBL31087224 | 0.77 | TRPV1 (0.57) | TRPV1ALDH1A1ALOX15 | |
| SCHEMBL9703972 | 0.76 | TRPV1 (0.42) | TRPV1ALDH1A1ALOX15 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0752465-A1 | Betaine esters for delivery of alcohols | THE PROCTER & GAMBLE COMPANY (US) | 1997-01-08 | — | — | EP | disclosed |
| WO-1996038528-A1 | BETAINE ESTERS FOR DELIVERY OF ALCOHOLS | THE PROCTER & GAMBLE COMPANY (US) | 1996-12-05 | — | — | WO | disclosed |