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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 3/20 | 0.40 |
| ▸ | CHRM4 known ✓ | P08173 | 3/20 | 0.40 |
| ▸ | CHRM5 known ✓ | P08912 | 3/20 | 0.40 |
| ▸ | CHRM1 known ✓ | P11229 | 3/20 | 0.40 |
| ▸ | CHRM3 known ✓ | P20309 | 3/20 | 0.40 |
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.33 |
| ▸ | PER2 | O15055 | 4/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
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 SCHEMBL7614926 | 1.00 | CHRM2 (0.40) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| Bromide SCHEMBL7615640 | 0.87 | CHRM2 (0.39) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| Bromide SCHEMBL7615645 | 0.87 | CHRM2 (0.39) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| Bromide SCHEMBL7614305 | 0.86 | OPRM1 (0.35) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| Bromide SCHEMBL7614308 | 0.86 | OPRM1 (0.35) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| Bromide SCHEMBL8563399 | 0.81 | HDAC1 (0.43) | — | |
| Bromide SCHEMBL5196792 | 0.81 | OPRK1 (0.37) | OPRM1OPRD1OPRK1OPRL1 | |
| Bromide SCHEMBL7618241 | 0.81 | OPRK1 (0.37) | OPRM1OPRD1OPRK1OPRL1 | |
| Bromide SCHEMBL8563395 | 0.81 | HDAC1 (0.43) | — | |
| Bromide SCHEMBL7885592 | 0.80 | PIK3CD (0.50) | PER2 |
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-0620225-B1 | Cephalosporin derivatives | BASILEA PHARMACEUTICA AG (CH) | 2002-11-13 | — | — | EP | disclosed |
| US-5523400-A | 3-(PYRROLIDIN-3-YLIDENE=CH-),7-((2-AMINOTHIAZOL-4-YL)HYDROX -IMINOACETYLAMINO-)-3-CEPHEM DERIVATIVES; BROAD SPECTRUM ANTIBIOTICS | HOFFMANN-LA ROCHE INC. (US) | 1996-06-04 | — | — | US | disclosed |
| EP-0620225-A1 | Cephalosporin derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1994-10-19 | — | — | EP | disclosed |