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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.43 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | IDO1 | P14902 | 2/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | LTA4H | P09960 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL125129 | 0.98 | CYP3A4 (0.52) | CYP3A4MAPTKDM4EIDO1THRB | |
| Iodide SCHEMBL4994541 | 0.95 | CYP3A4 (0.50) | CYP3A4MAPTKDM4EIDO1THRB | |
| Hydrochloric Acid SCHEMBL538794 | 0.95 | CYP3A4 (0.56) | CYP3A4MAPTKDM4EIDO1THRB | |
| Water SCHEMBL13583453 | 0.95 | CYP3A4 (0.56) | CYP3A4MAPTKDM4EIDO1THRB | |
| SCHEMBL5839383 | 0.85 | LTA4H (0.46) | CYP3A4MAPTKDM4ELTA4HLMNA | |
| SCHEMBL13958950 | 0.85 | RAB9A (0.59) | MAPTIDO1MEN1KMT2ALTA4H | |
| SCHEMBL13958852 | 0.81 | BCHE (0.69) | MAPTMEN1KMT2ALMNAATM | |
| SCHEMBL14433569 | 0.81 | PRMT6 (0.42) | CYP3A4MAPTKDM4EKMT2ALTA4H | |
| SCHEMBL14145021 | 0.81 | CYP3A4 (0.50) | CYP3A4MAPTKDM4EIDO1THRB | |
| SCHEMBL15432493 | 0.80 | DHODH (0.51) | HTTRAB9A |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0043807-B1 | 1-(DIHYDROXYPHENYL)-2-AMINO-ETHANOL DERIVATIVES; PREPARATION, COMPOSITIONS AND INTERMEDIATES | Aktiebolaget Draco (SE) | 1984-05-30 | — | — | EP | disclosed |
| US-4451663-A | TERBUTALINE DERIVATIVES OF LONG DURATION AN REDUCED SIDE EFFECTS | AKTIEBOLAGET DRACO (SE) | 1984-05-29 | — | — | US | disclosed |
| 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 |
| US-4419364-A | Bronchospasmolytic carbamate derivatives | AKTIEBOLAGET DRACO (SE) | 1983-12-06 | — | — | US | disclosed |
| EP-0046144-A1 | Therapeutically active derivatives of phenylethanol amines | Aktiebolaget Draco (SE) | 1982-02-17 | — | — | EP | disclosed |
| EP-0043807-A2 | 1-(Dihydroxyphenyl)-2-amino-ethanol derivatives; preparation, compositions and intermediates | Aktiebolaget Draco (SE) | 1982-01-13 | — | — | EP | disclosed |
| US-4101579-A | Phenethanolamine ethers | ALLEN & HANBURYS LIMITED (GB) | 1978-07-18 | — | — | US | disclosed |
| US-4011258-A | ETHANOLAMINES | AKTIEBOLAGET DRACO (SW) | 1977-03-08 | — | — | US | disclosed |
| US-3976694-A | BETA-ADRENERGIC STIMULANT, BRONCHODILATOR | SMITHKLINE CORPORATION (US) | 1976-08-24 | — | — | US | disclosed |
| US-3961076-A | BRONCHODILATORS | SMITHKLINE CORPORATION (US) | 1976-06-01 | — | — | US | disclosed |
| US-3937838-A | BRONCHODILATORS, DIHYDROXYPHENYL ETHANOLAMINES | AKTIEBOLAGET DRACO (SW) | 1976-02-10 | — | — | US | disclosed |