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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.35 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.95 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.95 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.95 |
| ▸ | MEN1 | O00255 | 2/20 | 0.95 |
| ▸ | GAA | P10253 | 2/20 | 0.95 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.95 |
| ▸ | PKM | P14618 | 1/20 | 0.95 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.95 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | DRD1 | P21728 | 1/20 | 0.46 |
| ▸ | DRD5 | P21918 | 1/20 | 0.46 |
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | ADCY6 | O43306 | 1/20 | 0.39 |
| ▸ | ADCY3 | O60266 | 1/20 | 0.39 |
| ▸ | ADCY9 | O60503 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL399808 | 0.98 | MAPT (1.00) | MAPTKDM4EALDH1A1MEN1GAA | |
| SCHEMBL1646406 | 0.93 | ALDH1A1 (0.91) | MAPTKDM4EALDH1A1MEN1GAA | |
| SCHEMBL21155841 | 0.82 | ALDH1A1 (0.72) | MAPTKDM4EALDH1A1MEN1GAA | |
| SCHEMBL11347157 | 0.79 | MEN1 (0.67) | MAPTKDM4EALDH1A1MEN1GAA | |
| SCHEMBL6568351 | 0.79 | MAPT (0.67) | MAPTKDM4EALDH1A1MEN1GAA | |
| SCHEMBL1535914 | 0.73 | MAPT (0.59) | MAPTKDM4EALDH1A1MEN1GAA | |
| SCHEMBL5837186 | 0.73 | KMT2A (0.59) | MAPTKDM4EALDH1A1MEN1GAA | |
| Bromide SCHEMBL11509608 | 0.73 | ALDH1A1 (0.50) | MAPTKDM4EALDH1A1MEN1GAA | |
| SCHEMBL12023176 | 0.72 | ALDH1A1 (0.58) | MAPTKDM4EALDH1A1MEN1GAA | |
| SCHEMBL18830558 | 0.71 | MEN1 (0.57) | MAPTKDM4EALDH1A1MEN1GAA |
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-4789675-A | HYPOTENSIVE, ANTIISCHEMIC AGENTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1988-12-06 | — | — | US | disclosed |
| EP-0233728-A1 | 1,4-Benzoxazine derivatives their production and use | Takeda Chemical Industries, Ltd. (JP) | 1987-08-26 | — | — | EP | disclosed |