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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | SSTR3 | P32745 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.37 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11039283 | 0.98 | CYP3A4 (0.43) | CYP3A4MAPTKDM4EIDO1MEN1 | |
| SCHEMBL27800697 | 0.94 | CYP3A4 (0.43) | CYP3A4MAPTKDM4EIDO1MEN1 | |
| SCHEMBL27893441 | 0.92 | KDM4E (0.42) | CYP3A4MAPTKDM4EIDO1MEN1 | |
| SCHEMBL27890446 | 0.90 | CYP3A4 (0.46) | CYP3A4MAPTKDM4EIDO1MEN1 | |
| SCHEMBL4604214 | 0.81 | TACR1 (0.44) | CYP3A4MAPTKDM4EIDO1MEN1 | |
| SCHEMBL22857018 | 0.80 | MC4R (0.44) | CYP3A4MAPTKDM4EOPRM1 | |
| SCHEMBL7500962 | 0.80 | CYP3A4 (0.43) | CYP3A4MAPTKDM4ESSTR3 | |
| SCHEMBL4191813 | 0.78 | CYP3A4 (0.54) | CYP3A4MEN1KMT2AOPRM1OPRL1 | |
| SCHEMBL30872145 | 0.78 | SSTR3 (0.46) | THRBSSTR3OPRM1OPRL1SMN1; SMN2 | |
| SCHEMBL864750 | 0.77 | MMP8 (0.44) | CYP3A4MAPTKDM4EIDO1MEN1 |
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-0046144-B1 | THERAPEUTICALLY ACTIVE DERIVATIVES OF PHENYLETHANOL AMINES | Aktiebolaget Draco (SE) | 1984-04-11 | — | — | EP | disclosed |
| US-4442300-A | BRONCHOSPASMOLYTIC | AKTIEBOLAGET DRACO (SE) | 1984-04-10 | — | — | US | disclosed |