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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.53 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.45 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
| ▸ | IMPDH2 | P12268 | 2/20 | 0.38 |
| ▸ | AKT1 | P31749 | 1/20 | 0.38 |
| ▸ | MELK | Q14680 | 2/20 | 0.38 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.37 |
| ▸ | PRMT3 | O60678 | 1/20 | 0.37 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.37 |
| ▸ | PIM1 | P11309 | 1/20 | 0.37 |
| ▸ | CDK9 | P50750 | 1/20 | 0.37 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6947317 | 0.98 | CYP19A1 (0.54) | CYP19A1TBXAS1ROCK1PDE10AIMPDH2 | |
| SCHEMBL29612558 | 0.98 | CYP19A1 (0.54) | CYP19A1TBXAS1ROCK1PDE10AIMPDH2 | |
| SCHEMBL30896286 | 0.90 | CYP19A1 (0.54) | CYP19A1TBXAS1ROCK1IMPDH2AKT1 | |
| SCHEMBL6042697 | 0.90 | CYP19A1 (0.54) | CYP19A1TBXAS1ROCK1IMPDH2AKT1 | |
| SCHEMBL27503273 | 0.83 | CYP19A1 (0.51) | CYP19A1TBXAS1ROCK1PDE10AIMPDH2 | |
| SCHEMBL3825275 | 0.78 | CYP19A1 (0.54) | CYP19A1TBXAS1ROCK1PDE10AIMPDH2 | |
| SCHEMBL9592639 | 0.78 | CYP19A1 (0.54) | CYP19A1TBXAS1ROCK1PDE10AIMPDH2 | |
| SCHEMBL6599732 | 0.78 | CYP19A1 (0.54) | CYP19A1TBXAS1ROCK1PDE10AIMPDH2 | |
| SCHEMBL3144694 | 0.78 | CYP19A1 (0.54) | CYP19A1TBXAS1ROCK1PDE10AIMPDH2 | |
| SCHEMBL22911613 | 0.78 | CYP19A1 (0.54) | CYP19A1TBXAS1ROCK1PDE10AIMPDH2 |
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-20060079533-A1 | Methods of treating alzheimer's disease | NIEMAN JAMES A | 2006-04-13 | — | — | US | disclosed |
| WO-2002076440-A2 | METHODS OF TREATING ALZHEIMER'S DISEASE WITH PIPERIDIN DERIVATES | ELAN PHARMACEUTICALS, INC. (US) | 2002-10-03 | — | — | WO | disclosed |
| US-6150526-A | Piperidine derivative having renin inhibiting activity | HOFFMANN-LA ROCHE INC. (US) | 2000-11-21 | — | — | US | disclosed |
| US-6051712-A | PREVENTION OF HIGH BLOOD PRESSURE AND CARDIAC INSUFFICIENCY, AS WELL AS GLAUCOMA, CARDIAC INFARCT, KIDNEY INSUFFICIENCY AND RESTENOSIS | HOFFMANN-LA ROCHE INC. (US) | 2000-04-18 | — | — | US | 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-20060079533-A1 | Methods of treating alzheimer's disease | BACE1, PSEN1, PSEN2 | CYP19A1 1033/4885TBXAS1 3051/4885ROCK1 1610/4885 |
“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.