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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 3/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | P2RY12 | Q9H244 | 4/20 | 0.34 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | TEAD1 | P28347 | 1/20 | 0.33 |
| ▸ | TEAD3 | Q99594 | 1/20 | 0.33 |
| ▸ | NR1D1 | P20393 | 1/20 | 0.33 |
| ▸ | ERN1 | O75460 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 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 SCHEMBL6968861 | 1.00 | FAAH (0.41) | FAAHMGLLCHRM1PARP1RAB9A | |
| Bromide SCHEMBL6959638 | 0.92 | FAAH (0.39) | FAAHMGLLCHRM1RAB9ALMNA | |
| Bromide SCHEMBL6959639 | 0.92 | FAAH (0.39) | FAAHMGLLCHRM1RAB9ALMNA | |
| Bromide SCHEMBL6968332 | 0.84 | FAAH (0.42) | FAAHMGLLCHRM1PARP1RAB9A | |
| Bromide SCHEMBL6968325 | 0.84 | FAAH (0.42) | FAAHMGLLCHRM1PARP1RAB9A | |
| Bromide SCHEMBL6962701 | 0.83 | FAAH (0.40) | FAAHMGLLCHRM1PARP1ELANE | |
| Bromide SCHEMBL2460258 | 0.80 | FAAH (0.41) | FAAHMGLLCHRM1PARP1RAB9A | |
| Bromide SCHEMBL2672194 | 0.80 | FAAH (0.41) | FAAHMGLLCHRM1PARP1RAB9A | |
| Bromide SCHEMBL6962170 | 0.80 | FAAH (0.41) | FAAHMGLLCHRM1PARP1RAB9A | |
| Bromide SCHEMBL3237328 | 0.80 | FAAH (0.41) | FAAHMGLLCHRM1PARP1RAB9A |
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-0849269-B9 | Vinyl pyrrolidine cephalosporins with basic substituents | BASILEA PHARMACEUTICA AG (CH) | 2003-03-05 | — | — | EP | disclosed |
| EP-0849269-B1 | Vinyl pyrrolidine cephalosporins with basic substituents | BASILEA PHARMACEUTICA AG (CH) | 2002-07-10 | — | — | EP | disclosed |
| US-5981519-A | Vinyl-pyrrolidinone cephalosporins | HOFFMAN-LA ROCHE INC. (US) | 1999-11-09 | — | — | US | disclosed |
| EP-0849269-A1 | Vinyl pyrrolidine cephalosporins with basic substituents | F. HOFFMANN-LA ROCHE AG (CH) | 1998-06-24 | — | — | EP | disclosed |