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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
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 SCHEMBL6183225 | 1.00 | BCHE (0.57) | BCHEKMT2AMEN1KDM4EMAPT | |
| SCHEMBL4247469 | 0.99 | BCHE (0.58) | BCHEKMT2AMEN1KDM4EMAPT | |
| SCHEMBL4250735 | 0.99 | BCHE (0.58) | BCHEKMT2AMEN1KDM4EMAPT | |
| SCHEMBL4247485 | 0.99 | BCHE (0.58) | BCHEKMT2AMEN1KDM4EMAPT | |
| SCHEMBL6181835 | 0.88 | KMT2A (0.53) | BCHEKMT2AMEN1KDM4C | |
| SCHEMBL9411108 | 0.86 | BCHE (0.64) | BCHEKMT2AMEN1KDM4EMAPT | |
| Bromide SCHEMBL5898965 | 0.82 | ADRB2 (0.63) | KMT2AMEN1 | |
| SCHEMBL31358960 | 0.82 | BCHE (0.60) | BCHEKMT2AMEN1KDM4EMAPT | |
| Bromide SCHEMBL26186975 | 0.82 | ADRB2 (0.63) | KMT2AMEN1 | |
| SCHEMBL26368493 | 0.82 | BCHE (0.60) | BCHEKMT2AMEN1KDM4EMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1507764-A4 | NOVEL ENANTIOMERS OF TETRAHYDROISOQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICALLY ACCEPTABLE SALTS, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS | YUN-CHOI HYE-SOOK (KR) | 2005-06-22 | — | — | EP | disclosed |
| EP-1507764-A1 | NOVEL ENANTIOMERS OF TETRAHYDROISOQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICALLY ACCEPTABLE SALTS, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS | Yun-Choi, Hye-Sook (KR) | 2005-02-23 | — | — | EP | disclosed |
| WO-2003095426-A1 | NOVEL ENANTIOMERS OF TETRAHYDROISOQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICALLY ACCEPTABLE SALTS, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS | YUN-CHOI HYE-SOOK (KR) | 2003-11-20 | — | — | WO | disclosed |