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 | 15/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27677508 | 0.98 | CYP17A1 (0.41) | CYP17A1CYP19A1CYP11B1CYP11B2 | |
| Hydrochloric Acid SCHEMBL28775270 | 0.96 | CYP17A1 (0.40) | CYP17A1CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL28175129 | 0.91 | CYP17A1 (0.40) | CYP17A1CYP19A1CYP11B1CYP11B2 | |
| Bromide SCHEMBL28122988 | 0.86 | CYP17A1 (0.42) | CYP17A1CYP19A1 | |
| SCHEMBL27727132 | 0.84 | CYP17A1 (0.43) | CYP17A1CYP19A1 | |
| Bromide SCHEMBL27657528 | 0.83 | CYP17A1 (0.45) | CYP17A1CYP19A1 | |
| Water SCHEMBL28070577 | 0.82 | CYP17A1 (0.42) | CYP17A1CYP19A1 | |
| Bromide SCHEMBL28309476 | 0.82 | CYP17A1 (0.42) | CYP17A1CYP19A1 | |
| Bromide SCHEMBL27677541 | 0.82 | CYP17A1 (0.41) | CYP17A1CYP19A1 | |
| Bromide SCHEMBL28038388 | 0.81 | CYP17A1 (0.40) | CYP17A1CYP19A1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-114057622-A | Short-chain bisimidazole quaternary ammonium salt and preparation and detection method thereof | 中国石油大学(北京) | 2022-02-18 | — | — | CN | disclosed |
| CN-107903561-A | A kind of polymer composites of permanent antibacterial and preparation method thereof | 杭州师范大学 | 2018-04-13 | — | — | CN | disclosed |
| CN-105482569-B | A kind of water type multicolor paint for water drum and preparation method thereof | 宁波双人新材料有限公司 | 2017-11-24 | — | — | 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 |