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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.45 |
| ▸ | HSD11B1 | P28845 | 5/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 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 | |
|---|---|---|---|---|
| SCHEMBL169124 | 0.97 | TSHR (0.47) | HSD11B1ACHETSHRTDP1ALDH1A1 | |
| SCHEMBL29656610 | 0.97 | TSHR (0.47) | HSD11B1ACHETSHRTDP1ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL1870627 | 0.95 | HSD11B1 (0.45) | HSD11B1ACHETSHRTDP1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL27874688 | 0.95 | TDP1 (0.46) | HSD11B1ACHETSHRTDP1ALDH1A1 | |
| Fluoride SCHEMBL27976646 | 0.95 | HSD11B1 (0.45) | HSD11B1ACHETSHRTDP1ALDH1A1 | |
| Acetonitrile SCHEMBL10788322 | 0.86 | AR (0.47) | HSD11B1ACHETSHRTDP1ALDH1A1 | |
| SCHEMBL11623026 | 0.81 | ACHE (0.47) | HSD11B1ACHETSHRTDP1ALDH1A1 | |
| SCHEMBL25951815 | 0.81 | ACHE (0.47) | HSD11B1ACHETSHRTDP1ALDH1A1 | |
| SCHEMBL9568248 | 0.81 | MEN1 (0.43) | HSD11B1TSHRTDP1ALDH1A1KDM4E | |
| SCHEMBL10034988 | 0.79 | ACHE (0.45) | HSD11B1ACHETSHRTDP1ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107954822-A | A kind of method for preparing diaryl acetylene compound | 浙江大学 | 2018-04-24 | — | — | CN | disclosed |