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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 4/20 | 0.55 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.55 |
| ▸ | MGLL | Q99685 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL36294 | 0.96 | GABRA1 (0.58) | GABRA1GABRB2MGLLTP53MAPT | |
| SCHEMBL29390847 | 0.96 | GABRA1 (0.58) | GABRA1GABRB2MGLLTP53MAPT | |
| SCHEMBL25425763 | 0.96 | GABRA1 (0.58) | GABRA1GABRB2MGLLTP53MAPT | |
| SCHEMBL30988351 | 0.93 | GABRA1 (0.55) | GABRA1GABRB2MGLLTP53MAPT | |
| Benzene SCHEMBL3122858 | 0.93 | TP53 (0.56) | GABRA1GABRB2MGLLTP53MAPT | |
| SCHEMBL7542830 | 0.93 | GABRA1 (0.55) | GABRA1GABRB2MGLLTP53MAPT | |
| SCHEMBL14807864 | 0.93 | GABRA1 (0.55) | GABRA1GABRB2MGLLTP53MAPT | |
| SCHEMBL25402639 | 0.93 | GABRA1 (0.55) | GABRA1GABRB2MGLLTP53MAPT | |
| Benzene SCHEMBL11603070 | 0.93 | TP53 (0.56) | GABRA1GABRB2MGLLTP53MAPT | |
| Ammonia Solution, Strong SCHEMBL2638008 | 0.93 | GABRA1 (0.55) | GABRA1GABRB2MGLLTP53MAPT |
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-110372468-A | Hydrogenate annulus [8] aromatic compound and preparation method thereof | 清华大学 | 2019-10-25 | — | — | CN | claimed |
| CN-110372469-A | Hydrogenate annulus [12] aromatic compound and preparation method thereof | 清华大学 | 2019-10-25 | — | — | CN | claimed |