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 | |
|---|---|---|---|---|
| ▸ | NR4A2 | P43354 | 1/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 15/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 14/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 14/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 13/20 | 0.50 |
| ▸ | USP2 | O75604 | 11/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.50 |
| ▸ | LMNA | P02545 | 5/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | HBB | P68871 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | CASP7 | P55210 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9564845 | 0.88 | KCNH2 (0.64) | NR4A2KCNH2CYP1A2CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL9564856 | 0.88 | KCNH2 (0.63) | NR4A2KCNH2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9564782 | 0.85 | KCNH2 (0.45) | NR4A2KCNH2CYP1A2CYP2C9CYP2C19 | |
| Water SCHEMBL9564805 | 0.85 | KCNH2 (0.48) | NR4A2KCNH2CYP1A2CYP2C9CYP2C19 | |
| Water SCHEMBL9564802 | 0.85 | KCNH2 (0.48) | NR4A2KCNH2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL11474096 | 0.84 | NR4A2 (0.60) | NR4A2KCNH2ALDH1A1LMNAMEN1 | |
| SCHEMBL9564789 | 0.82 | NR4A2 (0.42) | NR4A2KCNH2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9564960 | 0.82 | CYP1A2 (0.43) | NR4A2KCNH2CYP1A2CYP2C9CYP2C19 | |
| Water SCHEMBL9564807 | 0.82 | NR4A2 (0.42) | NR4A2KCNH2CYP1A2CYP2C9CYP2C19 | |
| Water SCHEMBL9564806 | 0.82 | NR4A2 (0.42) | NR4A2KCNH2CYP1A2CYP2C9CYP2C19 |
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 |