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 | 0.45 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.43 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.43 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.43 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.43 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.43 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.56 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1467598 | 0.97 | TAAR1 (0.58) | TAAR1AOC3ALDH1A1HPGDALOX15 | |
| SCHEMBL29000176 | 0.83 | KCNH2 (0.57) | AOC3SIGMAR1CHRM2HTR1AADRA2A | |
| SCHEMBL28974311 | 0.78 | TAAR1 (0.54) | TAAR1AOC3ALDH1A1HPGDALOX15 | |
| SCHEMBL7923729 | 0.76 | TAAR1 (0.52) | TAAR1AOC3ALDH1A1HPGDALOX15 | |
| SCHEMBL1344100 | 0.76 | OPRK1 (0.65) | TAAR1AOC3ALDH1A1HPGDALOX15 | |
| Bromide SCHEMBL29033194 | 0.75 | TAAR1 (0.95) | TAAR1AOC3ALDH1A1SIGMAR1 | |
| Bromide SCHEMBL3881997 | 0.75 | TAAR1 (0.95) | TAAR1AOC3ALDH1A1SIGMAR1 | |
| Bromide SCHEMBL29093974 | 0.75 | TAAR1 (0.50) | TAAR1AOC3ALDH1A1HPGDALOX15 | |
| Bromide SCHEMBL4538420 | 0.74 | ALDH1A1 (0.65) | TAAR1ALDH1A1HPGDALOX15ALOX12 | |
| SCHEMBL12049808 | 0.74 | OPRK1 (0.63) | TAAR1AOC3TDP1OPRK1CHRM2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040116418-A1 | Compounds and methods for inhibition of HIV and related viruses | MEDIVIR AB (SE) | 2004-06-17 | — | — | US | disclosed |
| US-20020132794-A1 | Compounds and methods for inhibition of HIV and related viruses | MEDIVIR AB | 2002-09-19 | — | — | US | disclosed |
| US-6376492-B1 | GUANIDINE DERIVATIVES | MEDIVIR AB (SE) | 2002-04-23 | — | — | US | disclosed |
| US-5849769-A | N-arylalkyl-N-heteroarylurea and guandine compounds and methods of treating HIV infection | MEDIVIR AB (SE) | 1998-12-15 | — | — | US | disclosed |
| EP-0706514-B1 | COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES | MEDIVIR AB (SE) | 1998-11-18 | — | — | EP | disclosed |
| EP-0706514-A1 | COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES | MEDIVIR AB (SE) | 1996-04-17 | — | — | EP | disclosed |
| WO-1995006034-A1 | COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES | MEDIVIR AB (SE) | 1995-03-02 | — | — | 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-20020132794-A1 | Compounds and methods for inhibition of HIV and related viruses | POLRMT, POLM, POLR1E | SIGMAR1 4045/4885CHRM2 4882/4885HTR1A 4544/4885 |
“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.