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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 5/20 | 0.41 |
| ▸ | HTR6 | P50406 | 5/20 | 0.41 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.41 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.39 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
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 SCHEMBL9698669 | 0.94 | KCNH2 (0.50) | KCNH2NR4A2MKNK1TP53ENPP2 | |
| Hydrochloric Acid SCHEMBL9630387 | 0.86 | KCNH2 (0.57) | KCNH2NR4A2MAOBHTR6MKNK1 | |
| Bromide SCHEMBL9630147 | 0.86 | NR4A2 (0.39) | KCNH2NR4A2MAOBHTR6MKNK1 | |
| Bromide SCHEMBL9697202 | 0.82 | KCNH2 (0.65) | KCNH2NR4A2MKNK1ALDH1A1HRH1 | |
| SCHEMBL9631535 | 0.82 | MAPT (0.42) | KCNH2NR4A2MAOBHTR6MKNK1 | |
| Hydrochloric Acid SCHEMBL9631314 | 0.81 | MAPT (0.42) | KCNH2NR4A2MAOBHTR6MKNK1 | |
| Hydrochloric Acid SCHEMBL9629253 | 0.81 | TSHR (0.40) | KCNH2NR4A2MAOBHTR6MKNK1 | |
| SCHEMBL11474096 | 0.81 | NR4A2 (0.60) | KCNH2NR4A2MAOBHTR6TP53 | |
| SCHEMBL7392534 | 0.81 | KCNH2 (0.66) | KCNH2NR4A2MKNK1ALDH1A1HRH1 | |
| SCHEMBL9564782 | 0.80 | KCNH2 (0.45) | KCNH2NR4A2MKNK1ALDH1A1HRH1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5151424-A | Antiallergens or antihistamines | JANSSEN PHARMACEUTICA N.V. (BE) | 1992-09-29 | — | — | US | disclosed |
| US-5071846-A | Anti-hystaminic [(bicyclic heterocyclyl) methyl and --hetero] substituted hexahydro-1H-azepines and pyrrolidines | JANSSEN PHARMACEUTICA N.V. (BE) | 1991-12-10 | — | — | US | disclosed |
| US-4988689-A | Antiallergens, antihistamines | JANSSEN PHARMACEUTICA N.V. (BE) | 1991-01-29 | — | — | US | disclosed |