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 | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5106372 | 0.93 | PTPN1 (0.42) | PTPN1POLBCYP2C9ALDH1A1 | |
| SCHEMBL11205508 | 0.82 | BACE1 (0.35) | — | |
| Diorcinol SCHEMBL28744720 | 0.69 | ALDH1A1 (0.60) | PTPN1POLBALDH1A1 | |
| Diorcinol SCHEMBL29629136 | 0.69 | ALDH1A1 (0.60) | PTPN1POLBALDH1A1 | |
| SCHEMBL11204242 | 0.69 | ALDH1A1 (0.42) | CYP2C9ALDH1A1 | |
| SCHEMBL11710182 | 0.65 | ALDH1A1 (0.48) | PTPN1POLBALDH1A1 | |
| SCHEMBL9505524 | 0.62 | ALDH1A1 (0.45) | ALDH1A1 | |
| SCHEMBL27731949 | 0.61 | AR (0.49) | PTPN1ALDH1A1 | |
| SCHEMBL13119743 | 0.61 | KCNH2 (0.43) | PTPN1ALDH1A1KCNH2 | |
| SCHEMBL11209033 | 0.61 | MAOB (0.43) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1963259-A2 | SUBSTITUTED DIPHENYLETHERS, -AMINES, -SULFIDES AND -METHANES FOR THE TREATMENT OF RESPIRATORY DISEASE | AstraZeneca AB (SE) | 2008-09-03 | — | — | EP | disclosed |
| WO-2007068894-A2 | SUBSTITUTED DIPHENYLETHERS, -AMINES, -SULFIDES AND -METHANES FOR THE TREATMENT OF RESPIRATORY DISEASE | ASTRAZENECA AB (SE) | 2007-06-21 | — | — | WO | disclosed |