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 | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | WEE1 | P30291 | 1/20 | 0.33 |
| ▸ | MYT1 | Q01538 | 1/20 | 0.33 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.33 |
| ▸ | PKMYT1 | Q99640 | 1/20 | 0.33 |
| ▸ | AKT1 | P31749 | 1/20 | 0.33 |
| ▸ | AKT2 | P31751 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL4163641 | 0.98 | CYP3A4 (0.49) | CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL6219463 | 0.92 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL5254676 | 0.86 | CYP3A4 (0.39) | CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19 | |
| Bromide SCHEMBL4880840 | 0.84 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL4165967 | 0.82 | KDM4E (0.42) | CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL4169299 | 0.80 | SMN1; SMN2 (0.44) | CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL4170737 | 0.79 | CA12 (0.39) | CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL6214346 | 0.78 | SMN1; SMN2 (0.51) | CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL27660825 | 0.72 | CYP3A4 (0.64) | CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL7498143 | 0.72 | CYP3A4 (0.34) | CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002060441-A1 | NOVEL FORMS OF 2,3-DIMETHYL-8-(2-ETHYL-6-METHYLBENZYLAMINO)-IMIDAZO (1,2-A)PYRIDINE-6-CARBOXAMIDE | ASTRAZENECA AB (SE) | 2002-08-08 | — | — | WO | disclosed |