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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL7227618 | 1.00 | CHRNB2 (0.33) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL11518733 | 0.81 | — | — | |
| SCHEMBL22641353 | 0.81 | — | — | |
| SCHEMBL18760073 | 0.79 | EPHX1 (0.40) | — | |
| SCHEMBL18760072 | 0.79 | EPHX1 (0.40) | — | |
| SCHEMBL19670019 | 0.78 | — | — | |
| SCHEMBL13229801 | 0.71 | — | — | |
| SCHEMBL386453 | 0.71 | — | — | |
| SCHEMBL1485551 | 0.71 | — | — | |
| SCHEMBL15785933 | 0.71 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6576791-B1 | Local anesthetic compounds and uses | THERAVANCE, INC. | 2003-06-10 | — | — | US | disclosed |
| US-20030044845-A1 | Novel therapeutic agents for membrane transporters | THERAVANCE BIOPHARMA R&D IP, LLC | 2003-03-06 | — | — | US | disclosed |
| US-6495681-B1 | PRODUCING LOCAL ANESTHESIA OF LONG-DURATION. THE COMPOUNDS OF THIS INVENTION ARE MULTIBINDING COMPOUNDS THAT COMPRISE FROM 2 TO 10 LIGANDS COVALENTLY ATTACHED TO A LINKER OR LINKERS, EACH LIGAND BEING CAPABLE OF BINDING TO A LIGAND BINDING SITE | THERAVANCE INC. | 2002-12-17 | — | — | US | disclosed |
| US-6462034-B1 | MULTIBINDING COMPOUNDS CONTAINING A SYMETRICAL DIAMINOTETRA-ETHERDODECANE RING WITH TWO SECONDARY AMIDE AND ADDITIONAL SUBSTITUENTS; VOLTAGE GATED SODIUM CHANNEL MODULATORS; LONG DURATION | THERAVANCE, INC. | 2002-10-08 | — | — | US | disclosed |
| US-6337423-B1 | BIND TO VOLTAGE-GATED SODIUM ION CHANNELS TO MODULATE ACTIVITY | ADVANCED MEDICINE, INC. | 2002-01-08 | — | — | US | disclosed |
| WO-1999064045-A9 | NOVEL THERAPEUTIC AGENTS FOR MEMBRANE TRANSPORTERS | ADVANCED MEDICINE INC (US) | 2001-07-05 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20030044845-A1 | Novel therapeutic agents for membrane transporters | SLC47A2, SLC8B1, SLC47A1 | CHRNB2 2058/4885CHRNB4 1963/4885CHRNA3 2408/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.