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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 3/20 | 0.43 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.34 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.31 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CXCR4 | P61073 | 5/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | CCR2 | P41597 | 1/20 | 0.31 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1104721 | 0.97 | SIGMAR1 (0.44) | SIGMAR1ALDH1A1HTTSMN1; SMN2POLB | |
| Hydrochloric Acid SCHEMBL1308918 | 0.95 | SIGMAR1 (0.43) | SIGMAR1ALDH1A1HTTSMN1; SMN2POLB | |
| SCHEMBL12932939 | 0.89 | CXCR4 (0.50) | SIGMAR1ALDH1A1HTTCXCR4CHRM5 | |
| SCHEMBL25096239 | 0.87 | CXCR4 (0.44) | SIGMAR1ALDH1A1HTTSMN1; SMN2POLB | |
| SCHEMBL24122600 | 0.85 | CXCR4 (0.57) | SIGMAR1ALDH1A1HTTSMN1; SMN2CXCR4 | |
| SCHEMBL19021173 | 0.83 | SIGMAR1 (0.38) | SIGMAR1ALDH1A1HTTSMN1; SMN2POLB | |
| Trifluoroacetic Acid SCHEMBL5269618 | 0.80 | SIGMAR1 (0.45) | SIGMAR1ALDH1A1HTTSMN1; SMN2CHRM5 | |
| SCHEMBL21472825 | 0.80 | ACHE (0.39) | SIGMAR1ALDH1A1HTTCHRM5ADRA2C | |
| SCHEMBL14584234 | 0.80 | SIGMAR1 (0.39) | SIGMAR1ALDH1A1HTTSMN1; SMN2POLB | |
| SCHEMBL3919857 | 0.78 | SIGMAR1 (0.38) | SIGMAR1ALDH1A1HTTSMN1; SMN2POLB |
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 |
|---|---|---|---|---|---|---|---|
| US-20080312192-A1 | Diaryl Urea Derivatives in the Treatment of Protein Kinase Dependent Diseases | BOLD GUIDO | 2008-12-18 | — | — | US | disclosed |
| EP-1689376-A2 | DIARYL UREA DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES | Novartis AG (CH) | 2006-08-16 | — | — | EP | disclosed |
| WO-2005051366-A2 | DIARYL UREA DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES | NOVARTIS AG (CH) | 2005-06-09 | — | — | 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-20080312192-A1 | Diaryl Urea Derivatives in the Treatment of Protein Kinase Dependent Diseases | RET, PRKDC, PRKACA | SIGMAR1 4157/4885CHRM3 4442/4885CHRM2 4405/4885 |
“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.