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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 2/20 | 0.33 |
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A4 known ✓ | P31645 | 2/20 | 0.33 |
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 0.33 |
| ▸ | ADRB3 known ✓ | P13945 | 1/20 | 0.33 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.33 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.33 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.33 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | MIF | P14174 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL230397 | 0.98 | KCNH2 (0.47) | KCNH2CYP19A1HRH4HRH3ALDH1A1 | |
| SCHEMBL7057663 | 0.98 | KCNH2 (0.47) | KCNH2CYP19A1HRH4HRH3ALDH1A1 | |
| SCHEMBL10830973 | 0.96 | KCNH2 (0.44) | KCNH2CYP19A1HRH4HRH3ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL17372911 | 0.94 | KCNH2 (0.42) | KCNH2CYP19A1HRH4HRH3ALDH1A1 | |
| SCHEMBL11116422 | 0.90 | KCNH2 (0.36) | KCNH2HRH3ALDH1A1TDP1L3MBTL1 | |
| SCHEMBL29886625 | 0.73 | KCNH2 (0.50) | KCNH2CYP19A1ALDH1A1TDP1L3MBTL1 | |
| SCHEMBL28091636 | 0.73 | KCNH2 (0.50) | KCNH2CYP19A1ALDH1A1TDP1L3MBTL1 | |
| SCHEMBL2708608 | 0.73 | KCNH2 (0.50) | KCNH2CYP19A1ALDH1A1TDP1L3MBTL1 | |
| SCHEMBL29737342 | 0.73 | KCNH2 (0.50) | KCNH2CYP19A1ALDH1A1TDP1L3MBTL1 | |
| SCHEMBL28254740 | 0.73 | KCNH2 (0.50) | KCNH2CYP19A1ALDH1A1TDP1L3MBTL1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0841925-B1 | ENDOTHELIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORP (US) | 2006-10-04 | — | — | EP | disclosed |
| US-6482956-B2 | FOR THERAPY OF CARDIOVASCULAR, CEREBROVASCULAR, RESPIRATORY AND RENAL DISORDERS | SMITHKLINE BEECHAM CORPORATION | 2002-11-19 | — | — | US | disclosed |
| US-20020072614-A1 | Endothelin receptor antagonists | LUENGO JUAN IGNACIO (US) | 2002-06-13 | — | — | US | disclosed |
| US-6353116-B1 | Endothelin receptor antagonists | SMITHKLINE BEECHAM CORPORATION | 2002-03-05 | — | — | US | disclosed |
| EP-0841925-A4 | ENDOTHELIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORP (US) | 2001-10-17 | — | — | EP | disclosed |
| US-6096897-A | NOVEL 1,2,3-TRIAZOLES | SMITHKLINE BEECHAM CORPORATION (US) | 2000-08-01 | — | — | US | disclosed |
| US-5969151-A | PYRAZOLE COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1999-10-19 | — | — | US | disclosed |
| US-5958968-A | CARDIOVASCULAR DISORDERS; KIDNEY DIEASES | SMITHKLINE BEECHAM CORPORATION (US) | 1999-09-28 | — | — | US | disclosed |
| EP-0841925-A1 | ENDOTHELIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1998-05-20 | — | — | EP | disclosed |
| WO-1997004772-A1 | ENDOTHELIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1997-02-13 | — | — | 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-20020072614-A1 | Endothelin receptor antagonists | EDNRA, EDNRB, ECE1 | ADRA2A 144/4885SLC6A2 1699/4885SLC6A4 878/4885 |
“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.