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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 16/20 | 0.51 |
| ▸ | ADRB1 known ✓ | P08588 | 4/20 | 0.46 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | PDE4A | P27815 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4740762 | 0.98 | ADRB2 (0.52) | ADRB2ADRB1ABCB11DRD2PDE4A | |
| Hydrochloric Acid SCHEMBL1179939 | 0.97 | ADRB2 (0.51) | ADRB2ADRB1ABCB11DRD2PDE4A | |
| Acetic Acid SCHEMBL4742751 | 0.92 | ADRB2 (0.47) | ADRB2ADRB1ABCB11DRD2PDE4A | |
| SCHEMBL14291843 | 0.83 | ADRB2 (0.52) | ADRB2ADRB1 | |
| SCHEMBL13133474 | 0.83 | ADRB2 (0.52) | ADRB2ADRB1DRD2 | |
| SCHEMBL4788200 | 0.82 | ADRB2 (0.47) | ADRB2ADRB1ABCB11DRD2PDE4A | |
| SCHEMBL12119358 | 0.81 | ADRB2 (0.54) | ADRB2ADRB1 | |
| SCHEMBL2818621 | 0.81 | ADRB2 (0.49) | ADRB2ADRB1 | |
| SCHEMBL13225809 | 0.80 | HTR2A (0.39) | ADRB2ADRB1 | |
| SCHEMBL4555603 | 0.80 | ADRB2 (0.49) | ADRB2ADRB1ABCB11DRD2PDE4A |
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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2718280-B1 | COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | CHIESI FARMA SPA (IT) | 2015-09-16 | — | — | EP | disclosed |
| US-9012644-B2 | Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity | CHIESI FARMACEUTICI S.P.A. (IT) | 2015-04-21 | — | — | US | disclosed |
| US-8877774-B2 | Compounds having muscarinic receptor antagonist and beta2 Adrenergic receptor agonist activity | CHIESI FARMACEUTICI S.P.A. (IT) | 2014-11-04 | — | — | US | disclosed |
| EP-2718280-A1 | COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | Chiesi Farmaceutici S.p.A. (IT) | 2014-04-16 | — | — | EP | disclosed |
| US-20130045169-A1 | COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | CHIESI FARMACEUTICI S.P.A. (IT) | 2013-02-21 | — | — | US | disclosed |
| US-20130034504-A1 | COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | CHIESI FARMACEUTICI S.P.A. (IT) | 2013-02-07 | — | — | US | disclosed |
| WO-2012168359-A1 | COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | CHIESI FARMACEUTICI S.P.A. (IT) | 2012-12-13 | — | — | WO | disclosed |
| 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 |
| EP-2303266-A1 | PHARMACEUTICAL COMPOSITION COMPRISING A 4-HYDROXY-2-OXO-2, 3- DIHYDRO-1, 3-BENZOTHIAZOL-7-YL COMPOUND FOR MODULATION OF BETA2-ADRENORECEPTOR ACTIVITY | AstraZeneca AB (SE) | 2011-04-06 | — | — | EP | disclosed |
| US-20100249200-A1 | Novel Compounds 569 | ASTRAZENECA AB (SE) | 2010-09-30 | — | — | US | disclosed |
| EP-0850232-A1 | BENZOTHIAZOLONE DERIVATIVES | Astra Pharmaceuticals Limited (GB) | 1998-07-01 | — | — | EP | disclosed |
| US-5763465-A | 7-(2-aminoethyl) benzothiazolones | ASTRA PHARMACEUTICALS LIMITED (GB) | 1998-06-09 | — | — | US | disclosed |
| US-5648370-A | 7-(2-aminoethyl) benzothiazolones | ASTRA PHARMACEUTICALS LIMITED (GB) | 1997-07-15 | — | — | US | disclosed |
| WO-1997010227-A1 | BENZOTHIAZOLONE DERIVATIVES | ASTRA PHARMACEUTICALS LIMITED (GB) | 1997-03-20 | — | — | WO | disclosed |
| EP-0649418-A1 | 7-(2-AMINOETHYL)-BENZOTHIAZOLONES | Astra Pharmaceuticals Limited (GB) | 1995-04-26 | — | — | EP | disclosed |
| WO-1993024473-A1 | 7-(2-AMINOETHYL)-BENZOTHIAZOLONES | FISONS PLC (GB) | 1993-12-09 | — | — | WO | disclosed |
| WO-1993023385-A1 | BIOLOGICALLY ACTIVE AMINES | FISONS PLC (GB) | 1993-11-25 | — | — | WO | disclosed |
| EP-0558677-A1 | BIOLOGICALLY ACTIVE AMINES | Astra Pharmaceuticals Limited (GB) | 1993-09-08 | — | — | EP | disclosed |
| WO-1992008708-A1 | BIOLOGICALLY ACTIVE AMINES | FISONS PLC (GB) | 1992-05-29 | — | — | WO | disclosed |
| EP-0174811-A2 | 7-(2-aminoethyl)-1,3-Benzthia- or oxa- zol-2(3H) -ones | SMITHKLINE BECKMAN CORPORATION (US) | 1986-03-19 | — | — | EP | 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-20130045169-A1 | COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | ADRB2, ADRB1, ADRA2B | ADRB2 1/4885ADRB1 2/4885ABCB11 1195/4885 |
| US-20130034504-A1 | COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | ADRB2, ADRB1, ADRA2B | ADRB2 1/4885ADRB1 2/4885ABCB11 1140/4885 |
| US-20100249200-A1 | Novel Compounds 569 | RB1, CNKSR1, CDK9 | ADRB2 1549/4885ADRB1 788/4885ABCB11 1533/4885 |
“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.