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 | |
|---|---|---|---|---|
| ▸ | LTB4R | Q15722 | 19/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL8696845 | 0.99 | LTB4R (0.47) | LTB4RTDP1L3MBTL1 | |
| SCHEMBL8695142 | 0.84 | S1PR4 (0.48) | LTB4RTDP1L3MBTL1 | |
| SCHEMBL8757559 | 0.79 | LTB4R (0.56) | LTB4R | |
| SCHEMBL8862080 | 0.78 | LTB4R (0.61) | LTB4R | |
| SCHEMBL8757578 | 0.77 | LTB4R (0.75) | LTB4R | |
| SCHEMBL8694497 | 0.77 | LTB4R (0.75) | LTB4R | |
| SCHEMBL8699763 | 0.76 | LTB4R (0.61) | LTB4R | |
| SCHEMBL8757554 | 0.76 | LTB4R (0.63) | LTB4R | |
| SCHEMBL8699765 | 0.76 | LTB4R (0.61) | LTB4R | |
| Hydrochloric Acid SCHEMBL8698525 | 0.76 | LTB4R (0.74) | LTB4R |
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 |
|---|---|---|---|---|---|---|---|
| US-5726315-A | Certain 3-hydroxy-6-hydroxymethyl-pyridine intermediates | SMITHKLINE BEECHAM PLC (GB) | 1998-03-10 | — | — | US | disclosed |
| US-5646286-A | Palladium catalyzed vinylic substitution reactions with 2-substituted-pyridines | SMITHKLINE BEECHAM PLC (GB) | 1997-07-08 | — | — | US | disclosed |
| EP-0705249-B1 | PALLADIUM CATALYZED VINYLIC SUBSTITUTION REACTIONS WITH 2-SUBSTITUTED-PYRIDINES | SMITHKLINE BEECHAM PLC (GB) | 1997-05-14 | — | — | EP | disclosed |
| EP-0705249-A1 | PALLADIUM CATALYZED VINYLIC SUBSTITUTION REACTIONS WITH 2-SUBSTITUTED-PYRIDINES | SMITHKLINE BEECHAM PLC (GB) | 1996-04-10 | — | — | EP | disclosed |
| WO-1995000487-A1 | PALLADIUM CATALYZED VINYLIC SUBSTITUTION REACTIONS WITH 2-SUBSTITUTED-PYRIDINES | SMITHKLINE BEECHAM PLC (GB) | 1995-01-05 | — | — | WO | disclosed |