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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.40 |
| ▸ | VCP | P55072 | 9/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.46 |
| ▸ | PDE5A | O76074 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL527705 | 0.99 | VCP (0.53) | VCPHIF1APDE5AACHE | |
| SCHEMBL527252 | 0.99 | VCP (0.53) | VCPHIF1APDE5AACHE | |
| SCHEMBL1753116 | 0.79 | ACHE (0.58) | VCPHIF1AACHE | |
| SCHEMBL1753004 | 0.79 | VCP (0.47) | VCPHIF1AACHE | |
| SCHEMBL29295408 | 0.75 | ALDH1A1 (0.42) | ACHE | |
| SCHEMBL1753214 | 0.74 | SOAT1 (0.50) | VCPHIF1AACHE | |
| SCHEMBL1599078 | 0.74 | SOAT1 (0.50) | VCPHIF1AACHE | |
| SCHEMBL12706600 | 0.73 | VCP (0.47) | VCPPDE5A | |
| SCHEMBL1752824 | 0.70 | MAPK1 (0.50) | ACHE | |
| SCHEMBL1752903 | 0.69 | SMARCA2 (0.50) | ACHE |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012012891-A1 | COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF ARTHRITIS | WARATAH PHARMACEUTICALS INC. (CA) | 2012-02-02 | — | — | WO | claimed |
| WO-2011156901-A2 | COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF MULTIPLE SCLEROSIS | WARATAH PHARMACEUTICALS INC. (CA) | 2011-12-22 | — | — | WO | claimed |
| WO-2012012891-A1 | COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF ARTHRITIS | WARATAH PHARMACEUTICALS INC. (CA) | 2012-02-02 | — | — | WO | disclosed |
| WO-2011156901-A2 | COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF MULTIPLE SCLEROSIS | WARATAH PHARMACEUTICALS INC. (CA) | 2011-12-22 | — | — | WO | disclosed |