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 | |
|---|---|---|---|---|
| ▸ | MAP4K4 | O95819 | 5/20 | 0.60 |
| ▸ | CES2 | O00748 | 2/20 | 0.59 |
| ▸ | CES1 | P23141 | 2/20 | 0.59 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 2/20 | 0.54 |
| ▸ | CA2 | P00918 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | PARP1 | P09874 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | RECQL | P46063 | 1/20 | 0.52 |
| ▸ | BLM | P54132 | 1/20 | 0.52 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL77931 | 0.97 | MAP4K4 (0.62) | MAP4K4CES2CES1TSHRALOX15 | |
| SCHEMBL29959902 | 0.97 | MAP4K4 (0.62) | MAP4K4CES2CES1TSHRALOX15 | |
| Hydrochloric Acid SCHEMBL3772040 | 0.95 | MAP4K4 (0.60) | MAP4K4CES2CES1TSHRALOX15 | |
| Hydrochloric Acid SCHEMBL409480 | 0.95 | MAP4K4 (0.60) | MAP4K4CES2CES1TSHRALOX15 | |
| Hydrochloric Acid SCHEMBL28021646 | 0.95 | MAP4K4 (0.60) | MAP4K4CES2CES1TSHRALOX15 | |
| Iodide SCHEMBL19056893 | 0.95 | MAP4K4 (0.60) | MAP4K4CES2CES1TSHRALOX15 | |
| Nitrogen SCHEMBL27780715 | 0.92 | MAP4K4 (0.58) | MAP4K4CES2CES1TSHRALOX15 | |
| SCHEMBL2689662 | 0.90 | MAP4K4 (0.72) | MAP4K4CES2CES1TSHRALOX15 | |
| Benzamide SCHEMBL9812910 | 0.88 | PARP1 (0.73) | MAP4K4CES2CES1TSHRALOX15 | |
| 4-Chloroaniline SCHEMBL11600778 | 0.88 | PARP10 (0.61) | MAP4K4CES2CES1TSHRALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102558033-B | Organic-inorganic composite material based on 4, 4'-bipyridyl and preparation method and application thereof | UNIV SHANDONG | 2013-09-25 | — | — | CN | disclosed |
| CN-102558033-A | Organic-inorganic composite material based on 4, 4'-bipyridyl and preparation method and application thereof | UNIV SHANDONG | 2012-07-11 | — | — | CN | disclosed |