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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL758893 | 0.96 | ALDH1A1 (0.35) | ALDH1A1TP53TSHR | |
| SCHEMBL5427 | 0.96 | ALDH1A1 (0.35) | ALDH1A1TP53TSHR | |
| Ammonia Solution, Strong SCHEMBL18983394 | 0.93 | ALDH1A1 (0.33) | ALDH1A1TP53TSHR | |
| SCHEMBL22689331 | 0.93 | ALDH1A1 (0.33) | ALDH1A1TP53TSHR | |
| Hydrogen Sulfide SCHEMBL28330299 | 0.93 | ALDH1A1 (0.33) | ALDH1A1TP53TSHR | |
| Hydrochloric Acid SCHEMBL27804397 | 0.93 | ALDH1A1 (0.33) | ALDH1A1TP53TSHR | |
| Water SCHEMBL28635166 | 0.93 | ALDH1A1 (0.33) | ALDH1A1TP53TSHR | |
| SCHEMBL926990 | 0.90 | ALDH1A1 (0.32) | ALDH1A1TP53TSHR | |
| Bicarbonate SCHEMBL15874485 | 0.90 | ALDH1A1 (0.39) | ALDH1A1TP53TSHR | |
| Ethylene SCHEMBL29034469 | 0.90 | ALDH1A1 (0.32) | ALDH1A1TP53TSHR |
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-112654600-A | Preparation method of fluoroalkyl nitrile and application of fluoroalkyl nitrile in preparation of related fluoroalkyl tetrazole | PI工业有限公司 | 2021-04-13 | — | — | CN | disclosed |