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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 2/20 | 0.38 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | MC4R | P32245 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | GSK3A | P49840 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | MGLL | Q99685 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL25379874 | 0.98 | LMNA (0.41) | LMNAPOLBSIGMAR1MC4RKDM4E | |
| Bromide SCHEMBL28556552 | 0.83 | SLC6A3 (0.40) | SIGMAR1GSK3AGSK3BMGLLACHE | |
| SCHEMBL30462667 | 0.82 | CYP19A1 (0.43) | LMNAPOLBKDM4EALDH1A1GAA | |
| Bromide SCHEMBL29099282 | 0.79 | SIGMAR1 (0.38) | LMNAPOLBSIGMAR1MC4RGSK3A | |
| Bromide SCHEMBL29099281 | 0.79 | SIGMAR1 (0.41) | LMNAPOLBSIGMAR1MC4RKDM4E | |
| Bromide SCHEMBL28711468 | 0.78 | SIGMAR1 (0.37) | LMNASIGMAR1MC4RKDM4EGSK3A | |
| SCHEMBL28223634 | 0.78 | LMNA (0.37) | LMNAPOLBSIGMAR1MC4RKDM4E | |
| SCHEMBL8804597 | 0.77 | SIGMAR1 (0.39) | LMNAPOLBSIGMAR1MC4RKDM4E | |
| SCHEMBL27763000 | 0.77 | SIGMAR1 (0.39) | SIGMAR1MC4RGSK3AGSK3BMGLL | |
| SCHEMBL27793468 | 0.77 | SIGMAR1 (0.39) | LMNAPOLBSIGMAR1MC4RGSK3A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102115353-B | Method for selective oxidization of aromatic hydrocarbons | DALIAN CHEMICAL PHYSICS INST | 2014-11-26 | — | — | CN | claimed |
| 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-102115353-B | Method for selective oxidization of aromatic hydrocarbons | DALIAN CHEMICAL PHYSICS INST | 2014-11-26 | — | — | CN | disclosed |
| CN-101454400-B | Dyeing composition containing a thiol/disulphide fluorescent colorant comprising a heterocycle, with an external cationic charge, and method for lightening keratin materials using said colorant | OREAL | 2014-07-02 | — | — | CN | disclosed |
| CN-102115353-A | Method for selective oxidization of aromatic hydrocarbons | DALIAN CHEMICAL PHYSICS INST | 2011-07-06 | — | — | CN | disclosed |
| CN-1166640-C | Substituted 1,2,3,4,5, 6-hexahydro-2, 6-methano-3-benzazocin-10-ols, process for their preparation and their use as pharmaceutical compositions | ���ָ��Ӣ��ķ�������Ϲ�˾ | 2004-09-15 | — | — | CN | disclosed |
| CN-1269790-A | Substituted 1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine-10-oles, method for production and use thereof as medicaments | BOEHRINGER INGELHEIM PHARMA (DE) | 2000-10-11 | — | — | CN | disclosed |