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 | |
|---|---|---|---|---|
| ▸ | HTR1D known ✓ | P28221 | 9/20 | 0.71 |
| ▸ | HTR1B known ✓ | P28222 | 8/20 | 0.71 |
| ▸ | ADRA2A known ✓ | P08913 | 5/20 | 0.54 |
| ▸ | ADRA2B known ✓ | P18089 | 4/20 | 0.54 |
| ▸ | ADRA2C known ✓ | P18825 | 4/20 | 0.54 |
| ▸ | ADRA1A known ✓ | P35348 | 4/20 | 0.54 |
| ▸ | ADRA1D known ✓ | P25100 | 3/20 | 0.54 |
| ▸ | ADRA1B known ✓ | P35368 | 3/20 | 0.54 |
| ▸ | HTR1A known ✓ | P08908 | 3/20 | 0.47 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 6/20 | 0.50 |
| ▸ | LMNA | P02545 | 4/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.47 |
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL957285 | 0.98 | HTR1D (0.73) | HTR1DHTR1BADRA2AADRA2BADRA2C | |
| Bromide SCHEMBL953489 | 0.77 | HTR1D (0.57) | HTR1DHTR1BADRA2AADRA2BADRA2C | |
| SCHEMBL957402 | 0.75 | HTR1D (0.58) | HTR1DHTR1BADRA2AADRA2BADRA2C | |
| SCHEMBL4990257 | 0.75 | HTR1D (0.58) | HTR1DHTR1BADRA2AADRA2BADRA2C | |
| SCHEMBL3176497 | 0.75 | NISCH (0.59) | HTR1DHTR1BADRA2AADRA2BADRA2C | |
| SCHEMBL10931658 | 0.75 | TAAR1 (0.69) | HTR1DHTR1BADRA2AADRA2BADRA2C | |
| SCHEMBL4993062 | 0.75 | HTR1D (0.58) | HTR1DHTR1BADRA2AADRA2BADRA2C | |
| SCHEMBL26078511 | 0.74 | TAAR1 (0.65) | HTR1DHTR1BADRA2AADRA2BADRA2C | |
| SCHEMBL4994516 | 0.74 | HTR1D (0.57) | HTR1DHTR1BADRA2AADRA2BADRA2C | |
| SCHEMBL26078473 | 0.74 | HTR1D (0.57) | HTR1DHTR1BADRA2AADRA2BADRA2C |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7875645-B2 | 2-(2-cyclopropyl-benzyl)-4,5-dihydro-1H-imidazole; depression, anxiety disorders, bipolar disorder, attention deficit hyperactivity disorder, stress-related disorders, psychotic disorders such as schizophrenia, neurological diseases such as Parkinson's disease, neurodegenerative disorders | HOFFMAN-LA ROCHE INC. (US) | 2011-01-25 | — | — | US | disclosed |
| EP-1981497-A2 | USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2008-10-22 | — | — | EP | disclosed |
| US-20070197621-A1 | Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives | F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) | 2007-08-23 | — | — | US | disclosed |
| WO-2007085557-A2 | USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2007-08-02 | — | — | 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-20070197621-A1 | Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives | GPR119, PER2, MTNR1B | HTR1D 28/4885HTR1B 23/4885ADRA2A 71/4885 |
“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.