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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 17/20 | 0.44 |
| ▸ | ADRB1 known ✓ | P08588 | 2/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2210688 | 0.99 | ADRB2 (0.44) | ADRB2ADRB1DRD3ABCB11DRD2 | |
| SCHEMBL2213690 | 0.99 | ADRB2 (0.44) | ADRB2ADRB1DRD3ABCB11DRD2 | |
| SCHEMBL2211074 | 0.98 | ADRB2 (0.45) | ADRB2ADRB1DRD3ABCB11DRD2 | |
| Benzoic Acid SCHEMBL2211864 | 0.95 | ADRB2 (0.42) | ADRB2ADRB1DRD3ABCB11DRD2 | |
| Trifluoroacetic Acid SCHEMBL2214100 | 0.95 | ADRB2 (0.41) | ADRB2ADRB1DRD3ABCB11DRD2 | |
| Trifluoroacetic Acid SCHEMBL2209414 | 0.95 | ADRB2 (0.41) | ADRB2ADRB1DRD3ABCB11DRD2 | |
| Trifluoroacetic Acid SCHEMBL2209065 | 0.94 | ADRB2 (0.42) | ADRB2ADRB1DRD3ABCB11DRD2 | |
| SCHEMBL2211910 | 0.93 | ADRB2 (0.38) | ADRB2ADRB1 | |
| SCHEMBL2209887 | 0.92 | OPRM1 (0.43) | ADRB2 | |
| SCHEMBL2211268 | 0.91 | ADRB2 (0.39) | ADRB2ADRB1DRD3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2121642-B1 | 4-HYDR0XY-2-0X0-2, 3 -DIHYDRO- 1, 3-BENZOTHIAZOL- 7YL COMPOUNDS FOR MODULATION OF B2-ADRENORECEPTOR ACTIVITY | ASTRAZENECA AB (SE) | 2011-07-27 | — | — | EP | disclosed |
| US-20100249200-A1 | Novel Compounds 569 | ASTRAZENECA AB (SE) | 2010-09-30 | — | — | US | disclosed |
| US-7700782-B2 | Compounds 569 | ASTRAZENECA AB (SE) | 2010-04-20 | — | — | US | disclosed |
| US-20100022491-A1 | 4-HYDROXY-2-OXO-2,3-DIHYDRO-1,3-BENZOTHIAZOL-7YL COMPOUNDS FOR MODULATION OF B2-ADRENORECEPTOR ACTIVITY | ASTRAZENECA AB (SE) | 2010-01-28 | — | — | US | disclosed |
| EP-2121642-A1 | 4-HYDR0XY-2-0X0-2, 3 -DIHYDRO- 1, 3-BENZOTHIAZOL- 7YL COMPOUNDS FOR MODULATION OF B2-ADRENORECEPTOR ACTIVITY | AstraZeneca AB (SE) | 2009-11-25 | — | — | EP | disclosed |
| US-20080207698-A1 | Novel Compounds 569 | ASTRAZENECA AB (SE) | 2008-08-28 | — | — | US | disclosed |
| WO-2008075026-A1 | 4-HYDR0XY-2-0X0-2, 3 -DIHYDRO- 1, 3-BENZOTHIAZOL- 7YL COMPOUNDS FOR MODULATION OF B2-ADRENORECEPTOR ACTIVITY | ASTRAZENECA AB (SE) | 2008-06-26 | — | — | 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 (3 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-20080207698-A1 | Novel Compounds 569 | RB1, CNKSR1, CDK9 | ADRB2 1549/4885ADRB1 788/4885DRD3 1363/4885 |
| US-20100022491-A1 | 4-HYDROXY-2-OXO-2,3-DIHYDRO-1,3-BENZOTHIAZOL-7YL COMPOUNDS FOR MODULATION OF B2-ADRENORECEPTOR ACTIVITY | ADRB2, ADRB1, ADRA2C | ADRB2 1/4885ADRB1 2/4885DRD3 385/4885 |
| US-20100249200-A1 | Novel Compounds 569 | RB1, CNKSR1, CDK9 | ADRB2 1549/4885ADRB1 788/4885DRD3 1363/4885 |
“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.