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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL15366209 | 0.97 | — | — | |
| SCHEMBL272458 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL30926986 | 0.94 | KDM4E (0.31) | KDM4EALDH1A1CYP2C9TSHRCYP2C19 | |
| Hydrochloric Acid SCHEMBL271876 | 0.94 | KDM4E (0.31) | KDM4EALDH1A1CYP2C9TSHRCYP2C19 | |
| Hydrochloric Acid SCHEMBL17560231 | 0.92 | KDM4E (0.30) | KDM4EALDH1A1 | |
| SCHEMBL23505786 | 0.91 | — | — | |
| Methyl Alcohol SCHEMBL26106863 | 0.87 | KDM4E (0.36) | KDM4EALDH1A1CYP2C9TSHRCYP2C19 | |
| SCHEMBL1139811 | 0.84 | — | — | |
| SCHEMBL22928568 | 0.84 | — | — | |
| SCHEMBL24405239 | 0.84 | — | — |
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-2001012167-A2 | PHARMACEUTICAL COMPOSITIONS COMPRISING A 7-(2-AMINOETHYL)-BENZOTHIAZOLONE AND AN ANTICHOLINERGIC MUSCARINIC ANTAGONIST | ASTRAZENECA UK LIMITED (GB) | 2001-02-22 | — | — | WO | disclosed |