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 | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | PDE4A | P27815 | 14/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 14/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 14/20 | 0.37 |
| ▸ | PDE4C | Q08493 | 13/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.34 |
| ▸ | KHK | P50053 | 3/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6185088 | 0.99 | ESR1 (0.42) | ESR1PDE4APDE4BPDE4DPDE4C | |
| SCHEMBL683162 | 0.97 | ESR1 (0.40) | ESR1PDE4APDE4BPDE4DPDE4C | |
| SCHEMBL682469 | 0.95 | ESR1 (0.38) | ESR1PDE4APDE4BPDE4DPDE4C | |
| Bromide SCHEMBL8390681 | 0.84 | PTGDR2 (0.47) | ESR1PDE4APDE4BPDE4DPDE4C | |
| SCHEMBL6796557 | 0.83 | PTGDR2 (0.47) | ESR1PDE4APDE4BPDE4DPDE4C | |
| SCHEMBL27552667 | 0.82 | ESR1 (0.41) | ESR1PDE4APDE4BPDE4DPDE4C | |
| SCHEMBL3167730 | 0.81 | PDE4A (0.41) | ESR1PDE4APDE4BPDE4DPDE4C | |
| SCHEMBL2144178 | 0.80 | MAPK1 (0.39) | PDE4APDE4BPDE4DPDE4CCNR1 | |
| SCHEMBL6182637 | 0.80 | ESR1 (0.40) | ESR1PDE4APDE4BPDE4DPDE4C | |
| SCHEMBL27428244 | 0.80 | ESR1 (0.40) | ESR1PDE4APDE4BPDE4DPDE4C |
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-0983249-B1 | PROCESSES AND INTERMEDIATES FOR PREPARING SUBSTITUTED INDAZOLE DERIVATIVES | PFIZER PROD INC (US) | 2002-03-13 | — | — | EP | disclosed |
| EP-0983249-A1 | PROCESSES AND INTERMEDIATES FOR PREPARING SUBSTITUTED INDAZOLE DERIVATIVES | Pfizer Products Inc. (US) | 2000-03-08 | — | — | EP | disclosed |
| US-6011159-A | Processes and intermediates for preparing substituted indazole derivatives | PFIZER INC (US) | 2000-01-04 | — | — | US | disclosed |
| WO-1998050367-A1 | PROCESSES AND INTERMEDIATES FOR PREPARING SUBSTITUTED INDAZOLE DERIVATIVES | PFIZER PRODUCTS INC. (US) | 1998-11-12 | — | — | WO | disclosed |