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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.43 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.43 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.43 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | SRC | P12931 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3689059 | 0.98 | CYP2C19 (0.59) | CYP2C19CYP2D6SRCLMNAMAPK1 | |
| SCHEMBL4198436 | 0.98 | CYP2C19 (0.59) | CYP2C19CYP2D6SRCLMNAMAPK1 | |
| SCHEMBL468727 | 0.98 | CYP2C19 (0.59) | CYP2C19CYP2D6SRCLMNAMAPK1 | |
| SCHEMBL6548602 | 0.95 | CYP2C19 (0.57) | CYP2C19CYP2D6SRCLMNAMAPK1 | |
| SCHEMBL30026293 | 0.95 | CYP2C19 (0.57) | CYP2C19CYP2D6SRCLMNAMAPK1 | |
| Hydrochloric Acid SCHEMBL1373205 | 0.95 | CYP2C19 (0.57) | CYP2C19CYP2D6SRCLMNAMAPK1 | |
| Boric Acid SCHEMBL9387879 | 0.91 | CYP2C19 (0.53) | CYP2C19CYP2D6SRCLMNAMAPK1 | |
| Glycolic Acid SCHEMBL12611268 | 0.91 | CYP2C19 (0.53) | CYP2C19CYP2D6SRCLMNAMAPK1 | |
| Toluene SCHEMBL30260177 | 0.88 | SMN1; SMN2 (0.55) | CYP2C19CYP2D6SRCLMNAPOLB | |
| SCHEMBL17142353 | 0.85 | PTGS2 (0.55) | CYP2C19LMNAMAPK1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024023390-A1 | NANOSENSOR FOR DETECTING SCOPOLAMINE | UNIVERSITAT POLITÉCNICA DE VALÉNCIA (ES) | 2024-02-01 | — | — | WO | disclosed |