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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 2/20 | 0.52 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.52 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.52 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.52 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.52 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.52 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.52 |
| ▸ | ADORA1 | P30542 | 13/20 | 0.44 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | FBP1 | P09467 | 1/20 | 0.36 |
| ▸ | PNMT | P11086 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | TDP2 | O95551 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6235823 | 0.99 | HDAC3 (0.53) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL6014131 | 0.66 | PNMT (0.52) | PNMTDRD2DRD3 | |
| SCHEMBL30950987 | 0.66 | PNMT (0.52) | PNMTDRD2DRD3 | |
| Bromide SCHEMBL17202846 | 0.63 | PNMT (0.52) | PNMTDRD2DRD3ALDH1A1 | |
| Bromide SCHEMBL8345546 | 0.63 | PNMT (0.44) | PNMTDRD2DRD3 | |
| SCHEMBL11678763 | 0.62 | PNMT (0.47) | PNMTDRD2DRD3NPC1ALDH1A1 | |
| SCHEMBL16335512 | 0.62 | PNMT (0.43) | PNMTDRD2DRD3TDP2LTK | |
| SCHEMBL6739755 | 0.61 | — | — | |
| SCHEMBL28439114 | 0.61 | MAOA (0.50) | PNMTDRD2DRD3 | |
| SCHEMBL2355804 | 0.60 | SMN1; SMN2 (0.53) | PNMTDRD2DRD3NPC1ALDH1A1 |
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-6476059-B1 | Use of polycyclic 2-aminothiazole systems for the treatment of obesity | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2002-11-05 | — | — | US | disclosed |
| US-6251922-B1 | TREATMENT OF OBESITY AND DIABETES | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2001-06-26 | — | — | US | disclosed |