Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR4A2 | P43354 | 1/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.38 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | SNCA | P37840 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL4485285 | 0.82 | CYP1A2 (0.49) | PDE10ASNCACYP1A2 | |
| Bromide SCHEMBL9119403 | 0.80 | CYSLTR1 (0.52) | — | |
| Hydrochloric Acid SCHEMBL2401263 | 0.79 | CYP1A2 (0.49) | PDE10ACYP1A2 | |
| Bromide SCHEMBL7246358 | 0.79 | SNCA (0.34) | PDE10ASNCACYP1A2 | |
| Hydrochloric Acid SCHEMBL8071622 | 0.78 | CYP1A2 (0.47) | PDE10ACYP1A2 | |
| Bromide SCHEMBL8128341 | 0.75 | PPARA (0.33) | SMN1; SMN2PDE10ASNCA | |
| Bromide SCHEMBL10385116 | 0.72 | SMN1; SMN2 (0.51) | CASP3SMN1; SMN2SENP7SENP6CYP1A2 | |
| SCHEMBL17229286 | 0.72 | PDE10A (0.42) | NR4A2PDE10ATDP1CYP1A2 | |
| SCHEMBL3276372 | 0.71 | NR4A2 (0.47) | NR4A2PDE10ACYP2A6CYP1A2 | |
| SCHEMBL9208659 | 0.71 | NR4A2 (0.41) | NR4A2CASP3SMN1; SMN2SENP7SENP6 |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6627656-B2 | Antagonists of the pain and inflammatory effects of E-type prostaglandins administered alone or in combination with analgesics, antipyretics, NSAIDs, antitussives, decongestants etc | MERCK FROSST CANADA LTD. (CA) | 2003-09-30 | — | — | US | disclosed |
| EP-1278734-A2 | METHOD OF TREATMENT USING PHENYL AND BIARYL DERIVATIVES AS PROSTAGLANDIN E INHIBITORS AND COMPOUNDS USEFUL THEREFORE | Merck Frosst Canada & Co. (CA) | 2003-01-29 | — | — | EP | disclosed |
| US-6509476-B1 | Leukotriene antagonists; antiallergens, antiinflammatory agents, and antiasthmatic agents | THE UNIVERSITY OF EAST ANGLIA (GB) | 2003-01-21 | — | — | US | disclosed |
| US-20020082266-A1 | Method of treatment using phenyl and biaryl derivatives as prostaglandin E inhibitors and compounds useful therefore | MERCK FROSST CANADA LTD. (CA) | 2002-06-27 | — | — | US | disclosed |
| WO-2001081312-A2 | METHOD OF TREATMENT USING PHENYL AND BIARYL DERIVATIVES AS PROSTAGLANDIN E INHIBITORS AND COMPOUNDS USEFUL THEREFORE | MERCK FROSST CANADA & CO. (CA) | 2001-11-01 | — | — | WO | disclosed |
| US-5856322-A | ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, CARDIOVASCULAR DISORDERS | MERCK FROSST CANADA, INC. (CA) | 1999-01-05 | — | — | US | disclosed |
| US-5807866-A | Process for preparing N-benzyl indoles | THE UNIVERSITY OF EAST ANGLIA (GB) | 1998-09-15 | — | — | US | disclosed |
| EP-0480717-B1 | Unsaturated hydroxyalkylquinoline acids as leukotriene antagonists | MERCK FROSST CANADA INC (CA) | 1998-04-15 | — | — | EP | disclosed |
| EP-0775694-A2 | Process for preparing N-benzyl indoles | University of East Anglia (GB) | 1997-05-28 | — | — | EP | disclosed |
| US-5565473-A | USEFUL AS ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND CYTOPROTECTIVE AGENTS; MONTELUKAST AND ITS SODIUM SALT | MERCK FROSST CANADA, INC. (CA) | 1996-10-15 | — | — | US | disclosed |
| US-5270324-A | Fluorinated hydroxyalkylquinoline acids as leukotriene antagonists | MERCK FROSST CANADA, INC. (CA) | 1993-12-14 | — | — | US | disclosed |
| US-5204358-A | Antiallergens; antiinflammatory agents; treatment of asthma, rhinitis, bronchitis and skin diseases | MERCK FROSST CANADA, INC. (CA) | 1993-04-20 | — | — | US | disclosed |
| US-5136034-A | Reacting an arylaldehyde with mercaptan and thioacyl in presence of acid catalysts; then reacting with electrophile | MERCK FROSST CANADA, INC. (CA) | 1992-08-04 | — | — | US | disclosed |
| EP-0480717-A1 | Unsaturated hydroxyalkylquinoline acids as leukotriene antagonists | MERCK FROSST CANADA INC. (CA) | 1992-04-15 | — | — | EP | disclosed |
| US-5104882-A | Leukotriene antagonists | MERCK FROSST CANADA, INC. (CA) | 1992-04-14 | — | — | US | disclosed |
| EP-0399818-A1 | Diarylstyrylquinoline diacids | MERCK FROSST CANADA INC. (CA) | 1990-11-28 | — | — | EP | disclosed |
| US-4851409-A | LEUKOTRIENE ANTAGONIST, ANTIASTHMA, ANTIALLERGEN, ANTIINFLAMMATORY, CYTOPROTECTIVE | MERCK FROSST CANADA INC. (CA) | 1989-07-25 | — | — | US | disclosed |
| EP-0318093-A2 | Diarylquinoline diacids and their use as medicaments | MERCK FROSST CANADA INC. (CA) | 1989-05-31 | — | — | EP | disclosed |
| EP-0271287-A2 | Quinoline dioic acids and amides | MERCK FROSST CANADA INC. (CA) | 1988-06-15 | — | — | EP | disclosed |
| EP-0233763-A2 | 2-Substituted quinoline dioic acids | MERCK FROSST CANADA INC. (CA) | 1987-08-26 | — | — | 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 (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-20020082266-A1 | Method of treatment using phenyl and biaryl derivatives as prostaglandin E inhibitors and compounds useful therefore | PTGER1, PTGS1, PTGES | NR4A2 3438/4885CASP3 2243/4885SMN1; SMN2 2065/4885 |
“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.