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.
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 | |
|---|---|---|---|---|
| SCHEMBL27626915 | 0.97 | — | — | |
| SCHEMBL5945065 | 0.95 | — | — | |
| SCHEMBL6467580 | 0.82 | — | — | |
| SCHEMBL8196755 | 0.80 | — | — | |
| Methyl Alcohol SCHEMBL20875603 | 0.76 | — | — | |
| SCHEMBL4612501 | 0.75 | — | — | |
| SCHEMBL14678020 | 0.71 | — | — | |
| SCHEMBL15738715 | 0.69 | — | — | |
| SCHEMBL8234712 | 0.69 | — | — | |
| SCHEMBL9050980 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7714023-B2 | Treatment or prophylaxis of migraine or headache disorders using citalopram, escitalopram or citalopram metabolites | SEPRACOR INC. (US) | 2010-05-11 | — | — | US | disclosed |
| EP-1720541-A1 | TREATMENT OR PROPHYLAXIS OF MIGRAINE OR HEADACHE DISORDERS USING CITALOPRAM, ESCITALOPRAM OR CITALOPRAM METABOLITES | Sepracor, Inc. (US) | 2006-11-15 | — | — | EP | disclosed |
| US-20050192344-A1 | Treatment or prophylaxis of migraine or headache disorders using citalopram, escitalopram or citalopram metabolites | SEPRACOR INC. (US) | 2005-09-01 | — | — | US | disclosed |
| WO-2005079787-A1 | TREATMENT OR PROPHYLAXIS OF MIGRAINE OR HEADACHE DISORDERS USING CITALOPRAM, ESCITALOPRAM OR CITALOPRAM METABOLITES | SEPRACOR INC. (US) | 2005-09-01 | — | — | WO | disclosed |
| US-20040266864-A1 | Methods for treating depression and other CNS disorders using enantiomerically enriched desmethyl-and didesmethyl-metabolites of citalopram | SEPRACOR INC. | 2004-12-30 | — | — | US | disclosed |
| EP-1446396-A1 | METHODS FOR TREATING DEPRESSION AND OTHER CNS DISORDERS USING ENANTIOMERICALLY ENRICHED DESMETHYL- AND DIDESMETHYL-METABOLITES OF CITALOPRAM | Sepracor, Inc. (US) | 2004-08-18 | — | — | EP | disclosed |
| WO-2003040121-A1 | METHODS FOR TREATING DEPRESSION AND OTHER CNS DISORDERS USING ENANTIOMERICALLY ENRICHED DESMETHYL- AND DIDESMETHYL-METABOLITES OF CITALOPRAM | SEPRACOR, INC. (US) | 2003-05-15 | — | — | WO | disclosed |