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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.35 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 12/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 8/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 7/20 | 0.39 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.36 |
| ▸ | CFTR | P13569 | 1/20 | 0.35 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6502210 | 0.99 | CYP11B1 (0.46) | CYP11B1CYP11B2CYP19A1CYP26A1CFTR | |
| SCHEMBL8076680 | 0.96 | CYP11B1 (0.49) | CYP11B1CYP11B2CYP19A1CYP26A1CFTR | |
| SCHEMBL6954487 | 0.82 | CYP11B1 (0.49) | CYP11B1CYP11B2CYP19A1CYP26A1CFTR | |
| Bromide SCHEMBL11274115 | 0.77 | KCNA5 (0.41) | CYP11B1CYP11B2CYP19A1CFTRSLC6A2 | |
| SCHEMBL6505968 | 0.74 | CYP3A4 (0.49) | CYP11B1CYP11B2CYP19A1CFTRSLC6A2 | |
| SCHEMBL360712 | 0.74 | CFTR (0.57) | CYP11B1CYP11B2CYP19A1CFTRSLC6A2 | |
| SCHEMBL6501170 | 0.73 | CYP19A1 (0.46) | CYP11B1CYP19A1CFTRSLC6A2SLC6A4 | |
| SCHEMBL3903975 | 0.73 | CYP11B1 (0.44) | CYP11B1CYP19A1CFTRSLC6A2SLC6A4 | |
| SCHEMBL6503338 | 0.72 | CYP19A1 (0.62) | CYP19A1CFTRSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6502611 | 0.72 | POLB (0.51) | CYP11B1CYP11B2CYP19A1CFTRSLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1027050-A2 | ADENOSINE A3 RECEPTOR ANTAGONISTS | Takeda Chemical Industries, Ltd. (JP) | 2000-08-16 | — | — | EP | disclosed |
| WO-1999021555-A2 | ADENOSINE A3 RECEPTOR ANTAGONISTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-05-06 | — | — | WO | disclosed |