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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 11/20 | 0.45 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.30 |
| ▸ | AKT1 | P31749 | 1/20 | 0.30 |
| ▸ | AKT2 | P31751 | 1/20 | 0.30 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.30 |
| ▸ | AKT3 | Q9Y243 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2364797 | 0.98 | CYP17A1 (0.46) | CYP17A1TBXAS1CYP19A1CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL27754751 | 0.97 | CYP17A1 (0.45) | CYP17A1TBXAS1CYP19A1CYP1A2CYP3A4 | |
| Bromide SCHEMBL27677541 | 0.95 | CYP17A1 (0.41) | CYP17A1TBXAS1CYP19A1CYP1A2CYP3A4 | |
| Bromide SCHEMBL28141364 | 0.94 | TBXAS1 (0.42) | CYP17A1TBXAS1CYP19A1CYP3A4CYP2D6 | |
| Bromide SCHEMBL29161797 | 0.94 | TBXAS1 (0.42) | CYP17A1TBXAS1CYP19A1CYP3A4CYP2D6 | |
| Bromide SCHEMBL28449861 | 0.94 | TBXAS1 (0.42) | CYP17A1TBXAS1CYP19A1CYP3A4CYP2D6 | |
| Bromide SCHEMBL27657523 | 0.94 | TBXAS1 (0.42) | CYP17A1TBXAS1CYP19A1CYP3A4CYP2D6 | |
| Bromide SCHEMBL28440401 | 0.94 | TBXAS1 (0.42) | CYP17A1TBXAS1CYP19A1CYP3A4CYP2D6 | |
| Bromide SCHEMBL27973060 | 0.94 | TBXAS1 (0.42) | CYP17A1TBXAS1CYP19A1CYP3A4CYP2D6 | |
| Bromide SCHEMBL28148974 | 0.94 | TBXAS1 (0.42) | CYP17A1TBXAS1CYP19A1CYP3A4CYP2D6 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111454551-A | Application of imidazolyl molybdate ionic liquid in preparation of P LL A/I L s blend | 辽宁大学 | 2020-07-28 | — | — | CN | claimed |
| CN-111333582-A | Imidazolyl organic molybdenum ionic liquid and preparation method thereof | 辽宁大学 | 2020-06-26 | — | — | CN | claimed |
| CN-101398399-A | Quartz crystal resonator, preparation and application thereof | DALIAN CHEMICAL PHYSICS INST (CN) | 2009-04-01 | — | — | CN | claimed |
| CN-101386611-A | Method for preparing 5-hydroxymethyl-furfural | DALIAN INST CHEM & PHYSICS (CN) | 2009-03-18 | — | — | CN | claimed |
| CN-115064786-A | Electrolyte, zinc ion battery, and preparation method and application of zinc ion battery | 华南师范大学 | 2022-09-16 | — | — | CN | disclosed |
| CN-111454551-A | Application of imidazolyl molybdate ionic liquid in preparation of P LL A/I L s blend | 辽宁大学 | 2020-07-28 | — | — | CN | disclosed |
| CN-111333582-A | Imidazolyl organic molybdenum ionic liquid and preparation method thereof | 辽宁大学 | 2020-06-26 | — | — | CN | disclosed |
| CN-111333582-A | Imidazolyl organic molybdenum ionic liquid and preparation method thereof | 辽宁大学 | 2020-06-26 | — | — | CN | disclosed |
| CN-101456851-B | Method for preparing 5-hydroxymethyl-furfural by microwave promotion | DALIAN CHEMICAL PHYSICS INST | 2012-10-24 | — | — | CN | disclosed |
| CN-101456851-A | Method for preparing 5-hydroxymethyl-furfural by microwave promotion | DALIAN CHEMICAL PHYSICS INST (CN) | 2009-06-17 | — | — | CN | disclosed |
| CN-101398399-A | Quartz crystal resonator, preparation and application thereof | DALIAN CHEMICAL PHYSICS INST (CN) | 2009-04-01 | — | — | CN | disclosed |
| CN-101386611-A | Method for preparing 5-hydroxymethyl-furfural | DALIAN INST CHEM & PHYSICS (CN) | 2009-03-18 | — | — | CN | disclosed |
| CN-1922152-A | Novel imidazolium compound | KANTO KAGAKU (JP) | 2007-02-28 | — | — | CN | disclosed |