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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.37 |
| ▸ | PIM1 | P11309 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8679860 | 0.97 | HRH3 (0.50) | HRH3CYP1A2MAPK1SMN1; SMN2POLB | |
| Hydrochloric Acid SCHEMBL2456069 | 0.95 | HRH3 (0.48) | HRH3CYP1A2MAPK1SMN1; SMN2POLB | |
| SCHEMBL1662583 | 0.95 | — | — | |
| Bromide SCHEMBL27620629 | 0.90 | HRH3 (0.62) | HRH3CYP1A2MAPK1SMN1; SMN2POLB | |
| SCHEMBL9129 | 0.89 | — | — | |
| SCHEMBL972563 | 0.89 | KDM4E (0.46) | HRH3CYP1A2MAPK1SMN1; SMN2POLB | |
| SCHEMBL1616084 | 0.89 | — | — | |
| SCHEMBL11399499 | 0.87 | HRH3 (0.59) | HRH3CYP1A2MAPK1SMN1; SMN2POLB | |
| SCHEMBL1098241 | 0.86 | HRH3 (0.65) | HRH3CYP1A2MAPK1SMN1; SMN2POLB | |
| Hydrochloric Acid SCHEMBL20303711 | 0.86 | HRH3 (0.57) | HRH3CYP1A2MAPK1SMN1; SMN2POLB |
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 |
|---|---|---|---|---|---|---|---|
| JP-59161364-A | — | — | None | — | — | JP | disclosed |
| JP-S59161364-A | PREPARATION OF N,N'-BIS(3-HYDROXYPROPYL)HOMOPIPERAZINE | TOYO SODA MFG CO LTD | 1984-09-12 | — | — | JP | disclosed |