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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FUCA1 | P04066 | 8/20 | 0.38 |
| ▸ | GBA1 | P04062 | 6/20 | 0.38 |
| ▸ | GNAI3 | P08754 | 3/20 | 0.38 |
| ▸ | GNAO1 | P09471 | 3/20 | 0.38 |
| ▸ | GNAI1 | P63096 | 3/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 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 | |
|---|---|---|---|---|
| SCHEMBL9432523 | 0.66 | FUCA1 (0.40) | FUCA1GNAI3GNAO1GNAI1S1PR4 | |
| Iodide SCHEMBL7681231 | 0.66 | CHRNB2 (0.37) | GNAI3GNAO1GNAI1EPHX1S1PR1 | |
| Octane SCHEMBL6313296 | 0.65 | TSHR (0.57) | GNAI3GNAO1GNAI1 | |
| Hydrochloric Acid SCHEMBL8437143 | 0.64 | FUCA1 (0.39) | FUCA1GBA1GNAI3GNAO1GNAI1 | |
| SCHEMBL7593415 | 0.63 | GNAI3 (0.55) | FUCA1GBA1GNAI3GNAO1GNAI1 | |
| SCHEMBL24210534 | 0.62 | GNAI3 (0.70) | FUCA1GBA1GNAI3GNAO1GNAI1 | |
| SCHEMBL9155873 | 0.62 | GNAI3 (0.70) | FUCA1GBA1GNAI3GNAO1GNAI1 | |
| SCHEMBL31020849 | 0.62 | GNAI3 (0.70) | FUCA1GBA1GNAI3GNAO1GNAI1 | |
| SCHEMBL20746945 | 0.62 | GNAI3 (0.70) | FUCA1GBA1GNAI3GNAO1GNAI1 | |
| SCHEMBL1044920 | 0.62 | GNAI3 (0.70) | FUCA1GBA1GNAI3GNAO1GNAI1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0848628-B1 | PROCESS USING A PERACID COMPOSITION FOR DECONTAMINATING MATERIALS CONTAMINATED WITH TOXIC AGENTS | FRANCE ETAT (FR) | 2003-04-23 | — | — | EP | claimed |
| US-6143088-A | A PHTHALAMIDOALKYL PERACID, AN ALKANEDIOIC PERACID OR SALTS AND A CATIONIC QUATERNARY AMMONIUM SURFACTANT; CLEANING WITHOUT DEGRADATION OF MATERIALS SOILED BY TOXIC AGENTS, SUCH AS ORGANOPHOSPHATES AND -SULFUR COMPOUNDS, E.G. VX, YPERITE | Etat Francais represented by the Delegue General pour l ' Armement (FR) | 2000-11-07 | — | — | US | claimed |
| US-6143088-A | A PHTHALAMIDOALKYL PERACID, AN ALKANEDIOIC PERACID OR SALTS AND A CATIONIC QUATERNARY AMMONIUM SURFACTANT; CLEANING WITHOUT DEGRADATION OF MATERIALS SOILED BY TOXIC AGENTS, SUCH AS ORGANOPHOSPHATES AND -SULFUR COMPOUNDS, E.G. VX, YPERITE | Etat Francais represented by the Delegue General pour l ' Armement (FR) | 2000-11-07 | — | — | US | disclosed |