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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 4/20 | 0.59 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.53 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.53 |
| ▸ | GRIA1 | P42261 | 2/20 | 0.53 |
| ▸ | CACNG8 | Q8WXS5 | 2/20 | 0.53 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.52 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.50 |
| ▸ | PGR | P06401 | 3/20 | 0.49 |
| ▸ | TDP2 | O95551 | 1/20 | 0.47 |
| ▸ | SMYD3 | Q9H7B4 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.46 |
| ▸ | CMA1 | P23946 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL22660 | 0.98 | AHR (0.61) | AHRCA9PDE3BPDE3AGRIA1 | |
| Hydrochloric Acid SCHEMBL15206761 | 0.96 | AHR (0.59) | AHRCA9PDE3BPDE3AGRIA1 | |
| SCHEMBL10711906 | 0.85 | PDE3B (0.68) | AHRPDE3BPDE3AGRIA1CACNG8 | |
| SCHEMBL8198247 | 0.83 | PGR (0.61) | AHRPDE3BPDE3AGRIA1CACNG8 | |
| SCHEMBL30468520 | 0.82 | CA9 (0.70) | AHRCA9PDE3BPDE3AGRIA1 | |
| SCHEMBL398137 | 0.82 | CA9 (0.70) | AHRCA9PDE3BPDE3AGRIA1 | |
| SCHEMBL9471753 | 0.81 | MAPT (0.52) | AHRCA9PDE3BPDE3AGRIA1 | |
| SCHEMBL736368 | 0.81 | CA9 (0.73) | CA9PDE3BPDE3ASMYD3CYP1A2 | |
| Hydrochloric Acid SCHEMBL9833199 | 0.81 | CA9 (0.68) | AHRCA9PDE3BPDE3AGRIA1 | |
| SCHEMBL10711487 | 0.81 | TDP2 (0.56) | AHRCA9PDE3BPDE3AGRIA1 |
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-0168003-B1 | OXINDOL COMPOUNDS, COMPOSITIONS CONTAINING SAME AND PROCESSES FOR PREPARING SAME | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1991-04-03 | — | — | EP | disclosed |
| US-4737501-A | Substituted piperazinyl oxindol compounds and cardiotonic compositions containing the same | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1988-04-12 | — | — | US | disclosed |
| EP-0168003-A1 | Oxindol compounds, compositions containing same and processes for preparing same | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1986-01-15 | — | — | EP | disclosed |