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 | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | TP53 | P04637 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | XDH | P47989 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | F2R | P25116 | 1/20 | 0.32 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.32 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.31 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.30 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.30 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.30 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28014802 | 0.98 | CA1 (0.38) | CA1CA2MAPTTP53LMNA | |
| Hydrochloric Acid SCHEMBL28707646 | 0.97 | CA1 (0.37) | CA1CA2MAPTTP53LMNA | |
| SCHEMBL19362304 | 0.90 | ALDH1A1 (0.44) | CA1CA2MAPTTP53LMNA | |
| Hydrochloric Acid SCHEMBL30286340 | 0.84 | MAPT (0.36) | CA1CA2MAPTTP53LMNA | |
| SCHEMBL1626513 | 0.83 | CA1 (0.39) | CA1CA2MAPTTP53LMNA | |
| SCHEMBL534294 | 0.82 | MAPT (0.37) | CA1CA2MAPTTP53LMNA | |
| SCHEMBL31550860 | 0.82 | ALDH1A1 (0.41) | MAPTTP53ALDH1A1MEN1KMT2A | |
| SCHEMBL1628529 | 0.82 | CA1 (0.38) | CA1CA2MAPTTP53LMNA | |
| Hydrochloric Acid SCHEMBL28447947 | 0.82 | CA1 (0.38) | CA1CA2MAPTTP53LMNA | |
| SCHEMBL15901624 | 0.81 | CA1 (0.45) | CA1CA2MAPTTP53LMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107722301-B | Preparation method of chemical/ionic double-crosslinking interpenetrating network hydrogel | 青岛科技大学 | 2020-02-14 | — | — | CN | disclosed |