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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 3/20 | 0.32 |
| ▸ | MGLL | Q99685 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | ELANE | P08246 | 4/20 | 0.32 |
| ▸ | F2 | P00734 | 1/20 | 0.32 |
| ▸ | CTSG | P08311 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
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 SCHEMBL6958973 | 0.77 | FAAH (0.38) | SIGMAR1FAAHMGLLCHRM1ELANE | |
| Bromide SCHEMBL6958976 | 0.77 | FAAH (0.38) | SIGMAR1FAAHMGLLCHRM1ELANE | |
| SCHEMBL6954836 | 0.77 | SIGMAR1 (0.33) | SIGMAR1FAAHMGLLCHRM1ELANE | |
| SCHEMBL6963346 | 0.77 | SIGMAR1 (0.33) | SIGMAR1FAAHMGLLCHRM1ELANE | |
| SCHEMBL7591812 | 0.68 | CHRM1 (0.40) | SIGMAR1FAAHMGLLCHRM1CYP19A1 | |
| SCHEMBL9687167 | 0.66 | CHRM1 (0.38) | SIGMAR1FAAHMGLLCHRM1CYP19A1 | |
| SCHEMBL9617147 | 0.66 | CHRM1 (0.38) | SIGMAR1FAAHMGLLCHRM1CYP19A1 | |
| SCHEMBL6772112 | 0.64 | POLB (0.36) | SIGMAR1CYP19A1 | |
| SCHEMBL8865106 | 0.63 | CYP19A1 (0.33) | SIGMAR1CYP19A1 | |
| SCHEMBL8011538 | 0.63 | CYP19A1 (0.33) | SIGMAR1CYP19A1 |
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 |