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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 12/20 | 0.58 |
| ▸ | UGT1A4 | P22310 | 1/20 | 0.58 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.58 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | STS | P08842 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13530998 | 0.83 | CYP19A1 (0.60) | CYP19A1UGT1A4PDE4DESR1STS | |
| SCHEMBL13529281 | 0.81 | CYP19A1 (0.54) | CYP19A1UGT1A4PDE4DESR1STS | |
| SCHEMBL13529283 | 0.79 | CYP19A1 (0.55) | CYP19A1UGT1A4PDE4DESR1STS | |
| SCHEMBL13524699 | 0.79 | CYP19A1 (0.55) | CYP19A1UGT1A4PDE4DESR1STS | |
| SCHEMBL13524701 | 0.78 | CYP19A1 (0.54) | CYP19A1UGT1A4PDE4DESR1STS | |
| SCHEMBL13524702 | 0.77 | CYP19A1 (0.53) | CYP19A1UGT1A4PDE4DESR1STS | |
| SCHEMBL13531036 | 0.75 | CYP19A1 (0.51) | CYP19A1UGT1A4PDE4DESR1STS | |
| SCHEMBL13524698 | 0.75 | CYP19A1 (0.51) | CYP19A1UGT1A4PDE4DESR1STS | |
| Anastrozole SCHEMBL5917785 | 0.75 | CYP19A1 (0.97) | CYP19A1UGT1A4PDE4DESR1STS | |
| SCHEMBL13524700 | 0.74 | CYP19A1 (0.50) | CYP19A1UGT1A4PDE4DESR1STS |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE36617-E | Anastrozole and salts as anticancer agent | ZENECA LIMITED (GB) | 2000-03-14 | — | — | US | disclosed |
| US-4935437-A | (Substituted aralkyl) heterocyclic compounds | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-06-19 | — | — | US | disclosed |