Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 2/20 | 0.80 |
| ▸ | MEN1 | O00255 | 1/20 | 0.77 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.77 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.77 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.77 |
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 SCHEMBL3989856 | 0.89 | CHRM2 (1.00) | CHRM2MEN1CYP1A2CYP2C19KMT2A | |
| SCHEMBL13073061 | 0.87 | CHRM2 (1.00) | CHRM2MEN1CYP1A2CYP2C19KMT2A | |
| Bromide SCHEMBL9147626 | 0.84 | CHRM2 (0.88) | CHRM2MEN1CYP1A2CYP2C19KMT2A | |
| SCHEMBL12802521 | 0.83 | CHRM2 (0.79) | CHRM2MEN1CYP1A2CYP2C19KMT2A | |
| SCHEMBL12802779 | 0.83 | CHRM2 (0.79) | CHRM2MEN1CYP1A2CYP2C19KMT2A | |
| SCHEMBL10908423 | 0.82 | CHRM2 (0.73) | CHRM2MEN1CYP1A2CYP2C19KMT2A | |
| SCHEMBL56978 | 0.82 | GLS (0.62) | CHRM2MEN1CYP1A2CYP2C19KMT2A | |
| SCHEMBL29351736 | 0.82 | GLS (0.62) | CHRM2MEN1CYP1A2CYP2C19KMT2A | |
| SCHEMBL13574310 | 0.81 | CYP3A4 (0.87) | CHRM2MEN1CYP1A2CYP2C19KMT2A | |
| SCHEMBL2196672 | 0.80 | CHRM2 (0.75) | CHRM2MEN1CYP1A2CYP2C19KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1037947-B1 | CYANINE DYES | AMERSHAM PLC (GB) | 2003-09-10 | — | — | EP | disclosed |
| US-6348599-B1 | CYANINE DYES HAVING OVERALL POSITIVE CHARGE OF +2 TO +6 AND REACTIVE OR FUNCTIONAL GROUP PRESENT WHICH CAN REACT WITH FUNCTIONAL OR REACTIVE GROUP OF TARGET MOLECULE | NYCOMED AMERSHAM PLC (GB) | 2002-02-19 | — | — | US | disclosed |
| EP-1037947-A1 | CYANINE DYES | Nycomed Amersham plc (GB) | 2000-09-27 | — | — | EP | disclosed |
| WO-1999005221-A1 | CYANINE DYES | NYCOMED AMERSHAM PLC (GB) | 1999-02-04 | — | — | WO | disclosed |