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 | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 6/20 | 0.55 |
| ▸ | ACE | P12821 | 6/20 | 0.50 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.46 |
| ▸ | MMP2 | P08253 | 3/20 | 0.41 |
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 SCHEMBL7342024 | 1.00 | HDAC8 (0.55) | HDAC8ACEABCB11MMP2 | |
| SCHEMBL9175072 | 0.99 | HDAC8 (0.56) | HDAC8ACEABCB11MMP2 | |
| SCHEMBL9175083 | 0.99 | HDAC8 (0.56) | HDAC8ACEABCB11MMP2 | |
| SCHEMBL11279169 | 0.83 | ACE (0.53) | HDAC8ACEABCB11MMP2 | |
| SCHEMBL11260996 | 0.81 | ACE (0.53) | HDAC8ACEABCB11MMP2 | |
| SCHEMBL11212483 | 0.81 | ACE (0.53) | ACEABCB11 | |
| SCHEMBL11216048 | 0.80 | ACE (0.53) | HDAC8ACEABCB11MMP2 | |
| SCHEMBL11216045 | 0.80 | ACE (0.53) | HDAC8ACEABCB11MMP2 | |
| SCHEMBL14776984 | 0.78 | MMP2 (0.49) | HDAC8ACEABCB11MMP2 | |
| SCHEMBL11266964 | 0.78 | REN (0.56) | HDAC8ACEABCB11 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0050800-B2 | Carboxyalkyl dipeptides, processes for their production and pharmaceutical compositions containing them | SCHERING CORP (US) | 1995-06-07 | — | — | EP | disclosed |
| EP-0050800-B1 | CARBOXYALKYL DIPEPTIDES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | SCHERING CORPORATION (US) | 1986-06-18 | — | — | EP | disclosed |
| US-4470972-A | 7-Carboxyalkylaminoacyl-1,4-dithia-7-azaspiro[4.4]-nonane-8-carboxylic acids | SCHERING CORPORATION (US) | 1984-09-11 | — | — | US | disclosed |