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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.39 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 2/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | HTR6 | P50406 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | STAT3 | P40763 | 1/20 | 0.34 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.33 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
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 SCHEMBL9564766 | 0.84 | KCNH2 (0.42) | KCNH2NR4A2TLR7HRH1HTR3A | |
| Bromide SCHEMBL9564852 | 0.81 | KCNH2 (0.57) | KCNH2NR4A2HRH1HTR3ACHRM1 | |
| SCHEMBL3970572 | 0.80 | KCNH2 (0.42) | KCNH2NR4A2HRH1HTR3ACHRM1 | |
| SCHEMBL9565088 | 0.79 | KCNH2 (0.48) | KCNH2NR4A2HRH1HTR3ACHRM1 | |
| SCHEMBL9564828 | 0.78 | HRH1 (0.49) | KCNH2HRH1HTR3ACHRM1HTR6 | |
| SCHEMBL9536078 | 0.77 | KCNH2 (0.50) | KCNH2NR4A2HRH1HTR3ACHRM1 | |
| SCHEMBL9565004 | 0.75 | HTR1A (0.50) | — | |
| SCHEMBL9537437 | 0.73 | KCNH2 (0.59) | KCNH2NR4A2HRH1HTR3ACHRM1 | |
| SCHEMBL9535886 | 0.73 | KCNH2 (0.59) | KCNH2NR4A2HRH1HTR3ACHRM1 | |
| SCHEMBL9564851 | 0.73 | CYP1A2 (0.54) | KCNH2NR4A2ALDH1A1CYP1A2CYP3A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5258380-A | Antiallergens, antihistamines | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-11-02 | — | — | US | disclosed |
| EP-0206415-B1 | (4-PIPERIDINYLMETHYL AND -HETERO)PURINES | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-01-27 | — | — | EP | disclosed |
| US-5041448-A | Antiallergens | JANSSEN PHARMACEUTICA N.V. (BE) | 1991-08-20 | — | — | US | disclosed |
| EP-0206415-A2 | (4-Piperidinylmethyl and -hetero)purines | JANSSEN PHARMACEUTICA N.V. (BE) | 1986-12-30 | — | — | EP | disclosed |