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 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | HRH1 | P35367 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | LIN28A | Q9H9Z2 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | FDPS | P14324 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | PTPRA | P18433 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL30047247 | 0.98 | — | — | |
| SCHEMBL248189 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL28526502 | 0.96 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2KDM4EHRH1MAPT | |
| Formaldehyde SCHEMBL8165197 | 0.94 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2KDM4EHRH1MAPT | |
| SCHEMBL5066306 | 0.79 | HRH1 (0.52) | ALDH1A1SMN1; SMN2HRH1MAPTLIN28A | |
| SCHEMBL7488885 | 0.79 | L3MBTL1 (0.50) | ALDH1A1SMN1; SMN2KDM4EHRH1MAPT | |
| Bromide SCHEMBL27640429 | 0.78 | HRH1 (0.47) | ALDH1A1SMN1; SMN2HRH1MAPTLIN28A | |
| SCHEMBL11815522 | 0.78 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2KDM4EHRH1MAPT | |
| SCHEMBL6006628 | 0.77 | — | — | |
| SCHEMBL349709 | 0.77 | HRH1 (0.55) | ALDH1A1SMN1; SMN2KDM4EHRH1TDP1 |
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-105143220-A | Novel pyrazole derivatives | HOFFMANN LA ROCHE | 2015-12-09 | — | — | CN | disclosed |