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 | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 3/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.35 |
| ▸ | DRD4 | P21917 | 1/20 | 0.35 |
| ▸ | MGLL | Q99685 | 2/20 | 0.34 |
| ▸ | GSK3A | P49840 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | MC4R | P32245 | 1/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27827661 | 0.98 | SIGMAR1 (0.38) | SIGMAR1CYP19A1DRD4MGLLGSK3A | |
| Hydrochloric Acid SCHEMBL27500541 | 0.97 | SIGMAR1 (0.37) | SIGMAR1CYP19A1DRD4MGLLGSK3A | |
| Bromide SCHEMBL29152398 | 0.90 | P2RX7 (0.40) | CYP19A1KDM4ECYP11B1CYP11B2MAPT | |
| SCHEMBL9097301 | 0.88 | P2RX7 (0.41) | CYP19A1KDM4ECYP11B1CYP11B2MAPT | |
| Hydrochloric Acid SCHEMBL28357122 | 0.86 | P2RX7 (0.40) | CYP19A1KDM4ECYP11B1CYP11B2MAPT | |
| SCHEMBL28261453 | 0.84 | SIGMAR1 (0.49) | SIGMAR1ALDH1A1L3MBTL1RAB9AKDM4E | |
| SCHEMBL27859888 | 0.82 | SLC6A3 (0.40) | SIGMAR1DRD4MGLLGSK3AGSK3B | |
| SCHEMBL30462678 | 0.81 | L3MBTL1 (0.41) | CYP19A1ALDH1A1L3MBTL1KDM4EGAA | |
| SCHEMBL712245 | 0.80 | ALDH1A1 (0.48) | ALDH1A1RAB9AKDM4EGAAHPGD | |
| SCHEMBL28139835 | 0.79 | CHRNA7 (0.34) | ALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-116803980-A | Preparation method of tetrahydropyridine derivative and hexahydropyridine derivative | 中国科学院化学研究所 | 2023-09-26 | — | — | CN | disclosed |
| CN-114181137-A | Para-aryl substituted pyridinium derivative electrochromic material and preparation method thereof | 黎伟麒 | 2022-03-15 | — | — | CN | disclosed |