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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.42 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.42 |
| ▸ | CXCR4 | P61073 | 6/20 | 0.49 |
| ▸ | HRH1 | P35367 | 6/20 | 0.47 |
| ▸ | NOS3 | P29474 | 1/20 | 0.42 |
| ▸ | NOS1 | P29475 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.42 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | PLAU | P00749 | 1/20 | 0.36 |
| ▸ | SSTR4 | P31391 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL10703086 | 1.00 | CXCR4 (0.49) | CXCR4HRH1NOS3NOS1NOS2 | |
| SCHEMBL6508578 | 0.98 | CXCR4 (0.50) | CXCR4HRH1NOS3NOS1NOS2 | |
| Sulfuric Acid SCHEMBL10701425 | 0.89 | CXCR4 (0.44) | CXCR4HRH1NOS3NOS1NOS2 | |
| Sulfuric Acid SCHEMBL10701419 | 0.89 | CXCR4 (0.44) | CXCR4HRH1NOS3NOS1NOS2 | |
| SCHEMBL701433 | 0.85 | NOS3 (0.48) | CXCR4HRH1NOS3NOS1NOS2 | |
| SCHEMBL30839509 | 0.85 | NOS3 (0.48) | CXCR4HRH1NOS3NOS1NOS2 | |
| Hydrochloric Acid SCHEMBL11418372 | 0.83 | NOS3 (0.45) | CXCR4NOS3NOS1NOS2CYP2A6 | |
| Bromide SCHEMBL28285568 | 0.81 | L3MBTL1 (0.42) | CXCR4NOS3NOS1NOS2CYP2A6 | |
| SCHEMBL15856910 | 0.81 | L3MBTL1 (0.50) | CXCR4NOS3NOS1NOS2CYP2A6 | |
| SCHEMBL6839265 | 0.80 | TDP1 (0.49) | NOS3NOS1NOS2CYP2A6 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0093490-B1 | PROCESS FOR PREPARING 3,5-DISUBSTITUTED 2-PYRIDYLALKYL AMINES | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1988-04-27 | — | — | EP | disclosed |
| US-4584381-A | HISTAMINE H1-ANTAGONIST | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1986-04-22 | — | — | US | disclosed |
| US-4515952-A | Synthesis of 2-pyridylalkylamines substituted on the pyridyl ring by bromine | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1985-05-07 | — | — | US | disclosed |
| US-4486434-A | PYRIDYLALKYLAMINO PYRIDYLMETHYL PYRIMIDONES | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1984-12-04 | — | — | US | disclosed |
| EP-0093490-A2 | Process for preparing 3,5-disubstituted 2-pyridylalkyl amines | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1983-11-09 | — | — | EP | disclosed |