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 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | GSK3A | P49840 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | MGLL | Q99685 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.32 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL27699063 | 0.98 | SIGMAR1 (0.36) | SIGMAR1CA1CA2TSHRALDH1A1 | |
| Bromide SCHEMBL27466671 | 0.76 | LMNA (0.40) | SIGMAR1TSHRALDH1A1KMT2AMEN1 | |
| Bromide SCHEMBL29099282 | 0.76 | SIGMAR1 (0.38) | SIGMAR1ALDH1A1KMT2ATDP1GSK3A | |
| Bromide SCHEMBL28711468 | 0.74 | SIGMAR1 (0.37) | SIGMAR1ALDH1A1KMT2ATDP1GSK3A | |
| SCHEMBL25379874 | 0.73 | LMNA (0.41) | SIGMAR1TSHRALDH1A1SMN1; SMN2GSK3A | |
| SCHEMBL27763000 | 0.73 | SIGMAR1 (0.39) | SIGMAR1KMT2AMEN1GSK3AGSK3B | |
| SCHEMBL27793468 | 0.73 | SIGMAR1 (0.39) | SIGMAR1ALDH1A1KMT2ATDP1GSK3A | |
| SCHEMBL8804597 | 0.73 | SIGMAR1 (0.39) | SIGMAR1TSHRALDH1A1SMN1; SMN2GSK3A | |
| SCHEMBL27807085 | 0.72 | SIGMAR1 (0.42) | SIGMAR1GSK3AGSK3BMGLLHSD17B10 | |
| SCHEMBL27827661 | 0.72 | SIGMAR1 (0.38) | SIGMAR1ALDH1A1KMT2ATDP1GSK3A |
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 3 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-102115353-B | Method for selective oxidization of aromatic hydrocarbons | DALIAN CHEMICAL PHYSICS INST | 2014-11-26 | — | — | CN | disclosed |
| CN-102115353-A | Method for selective oxidization of aromatic hydrocarbons | DALIAN CHEMICAL PHYSICS INST | 2011-07-06 | — | — | CN | disclosed |