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 | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 16/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 16/20 | 0.48 |
| ▸ | USP2 | O75604 | 15/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 14/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 12/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 10/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.46 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.45 |
| ▸ | CASP1 | P29466 | 3/20 | 0.45 |
| ▸ | CASP7 | P55210 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 5/20 | 0.44 |
| ▸ | HBB | P68871 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
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 SCHEMBL9564857 | 1.00 | CYP1A2 (0.48) | CYP1A2CYP3A4USP2CYP2C9CYP2C19 | |
| Bromide SCHEMBL9564980 | 1.00 | CYP1A2 (0.48) | CYP1A2CYP3A4USP2CYP2C9CYP2C19 | |
| SCHEMBL9564845 | 0.84 | KCNH2 (0.64) | CYP1A2CYP3A4USP2CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL9564856 | 0.83 | KCNH2 (0.63) | CYP1A2CYP3A4USP2CYP2C9CYP2C19 | |
| SCHEMBL10429109 | 0.80 | KCNH2 (0.71) | CYP1A2CYP3A4USP2CYP2C19ALDH1A1 | |
| SCHEMBL9602651 | 0.79 | CYP1A2 (0.48) | CYP1A2CYP3A4USP2CYP2C9CYP2C19 | |
| SCHEMBL9564903 | 0.79 | CYP1A2 (0.48) | CYP1A2CYP3A4USP2CYP2C9CYP2C19 | |
| SCHEMBL9564982 | 0.78 | CYP1A2 (0.46) | CYP1A2CYP3A4USP2CYP2C9CYP2C19 | |
| SCHEMBL9564977 | 0.78 | CYP1A2 (0.46) | CYP1A2CYP3A4USP2CYP2C9CYP2C19 | |
| SCHEMBL9564974 | 0.78 | CYP1A2 (0.46) | CYP1A2CYP3A4USP2CYP2C9CYP2C19 |
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-5258380-A | Antiallergens, antihistamines | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-11-02 | — | — | US | 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 |