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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 11/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17742983 | 0.98 | CYP17A1 (0.39) | CYP17A1CYP19A1CYP11B1CYP11B2 | |
| Iodide SCHEMBL27677510 | 0.97 | CYP17A1 (0.38) | CYP17A1CYP19A1CYP11B1CYP11B2 | |
| Hydrochloric Acid SCHEMBL27677533 | 0.97 | CYP17A1 (0.38) | CYP17A1CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL28262511 | 0.92 | CYP17A1 (0.38) | CYP17A1CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL5455751 | 0.87 | CYP19A1 (0.40) | CYP17A1CYP19A1 | |
| Bromide SCHEMBL28301180 | 0.87 | CYP17A1 (0.40) | CYP17A1CYP19A1 | |
| SCHEMBL2518955 | 0.85 | CYP17A1 (0.41) | CYP17A1CYP19A1 | |
| Bromide SCHEMBL28149516 | 0.83 | CYP17A1 (0.45) | CYP17A1CYP19A1CYP11B1CYP11B2 | |
| Bromide SCHEMBL28937656 | 0.82 | TBXAS1 (0.41) | CYP17A1CYP19A1 | |
| SCHEMBL1075862 | 0.81 | CYP17A1 (0.46) | CYP17A1CYP19A1CYP11B1CYP11B2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117019219-A | Oxidative desulfurization catalyst and preparation method and application thereof | 陕西煤基特种燃料研究院有限公司 | 2023-11-10 | — | — | CN | disclosed |