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 | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.64 |
| ▸ | ADORA1 | P30542 | 7/20 | 0.54 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.54 |
| ▸ | SQOR | Q9Y6N5 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.50 |
| ▸ | HPGD | P15428 | 4/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.50 |
| ▸ | PPARG | P37231 | 1/20 | 0.50 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.50 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.50 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL4064211 | 0.97 | L3MBTL1 (0.71) | L3MBTL1ALDH1A1ADORA1ADORA2ASQOR | |
| Bromide SCHEMBL4074769 | 0.94 | L3MBTL1 (0.68) | L3MBTL1ALDH1A1ADORA1ADORA2ASQOR | |
| SCHEMBL4074773 | 0.91 | L3MBTL1 (0.64) | L3MBTL1ALDH1A1ADORA1ADORA2ASQOR | |
| SCHEMBL11937166 | 0.83 | ADORA1 (0.71) | L3MBTL1ALDH1A1ADORA1ADORA2ASQOR | |
| SCHEMBL1320853 | 0.81 | L3MBTL1 (0.68) | L3MBTL1ALDH1A1ADORA1ADORA2ASQOR | |
| SCHEMBL4068922 | 0.81 | L3MBTL1 (0.68) | L3MBTL1ALDH1A1ADORA1ADORA2ASQOR | |
| SCHEMBL5814391 | 0.81 | ADORA2A (0.54) | L3MBTL1ALDH1A1ADORA1ADORA2ASQOR | |
| SCHEMBL4066436 | 0.81 | L3MBTL1 (1.00) | L3MBTL1ALDH1A1ADORA1ADORA2ASQOR | |
| SCHEMBL28806889 | 0.81 | ADORA1 (0.71) | L3MBTL1ALDH1A1ADORA1ADORA2AKDM4E | |
| SCHEMBL11731626 | 0.79 | ALDH1A1 (0.81) | L3MBTL1ALDH1A1ADORA1ADORA2ASQOR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1706412-A4 | NOVEL PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME | SK CHEMICALS CO LTD (KR) | 2009-03-18 | — | — | EP | disclosed |
| EP-1706412-A1 | NOVEL PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME | SK Chemicals, Co., Ltd. (KR) | 2006-10-04 | — | — | EP | disclosed |
| WO-2005063768-A1 | NOVEL PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME | SK CHEMICALS, CO., LTD. (KR) | 2005-07-14 | — | — | WO | disclosed |