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 | |
|---|---|---|---|---|
| ▸ | GSK3A | P49840 | 2/20 | 0.42 |
| ▸ | GSK3B | P49841 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.38 |
| ▸ | PIN4 | Q9Y237 | 1/20 | 0.38 |
| ▸ | MGAM | O43451 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | SI | P14410 | 1/20 | 0.38 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | ELANE | P08246 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL29137633 | 0.92 | GSK3A (0.39) | GSK3AGSK3BMAPK1ALDH1A1PIN1 | |
| Bromide SCHEMBL2760616 | 0.87 | ALDH1A1 (0.43) | GSK3AGSK3BMAPK1ALDH1A1GAA | |
| Bromide SCHEMBL2296153 | 0.86 | ALDH1A1 (0.40) | GSK3AGSK3BALDH1A1 | |
| Hydrochloric Acid SCHEMBL6074598 | 0.85 | GSK3A (0.47) | GSK3AGSK3BMAPK1ALDH1A1PIN1 | |
| Bromide SCHEMBL2291719 | 0.85 | ALDH1A1 (0.39) | GSK3AGSK3BALDH1A1 | |
| Bromide SCHEMBL2296147 | 0.84 | MEN1 (0.43) | MAPK1ALDH1A1GAAMEN1KMT2A | |
| SCHEMBL2292195 | 0.84 | ALDH1A1 (0.41) | GSK3AGSK3BALDH1A1 | |
| Bromide SCHEMBL2293053 | 0.83 | NAAA (0.45) | MAPK1ALDH1A1NPSR1MEN1KMT2A | |
| Bromide SCHEMBL2761185 | 0.82 | SMN1; SMN2 (0.35) | MGAMGAASIMGAM2MEN1 | |
| SCHEMBL2288344 | 0.82 | MEN1 (0.44) | MAPK1ALDH1A1GAAMEN1KMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9555394-B2 | Method of making ionic liquid mediated sol-gel sorbents | UNIVERSITY OF SOUTH FLORIDA (US) | 2017-01-31 | — | — | US | disclosed |
| US-20140057048-A1 | METHOD OF MAKING IONIC LIQUID MEDIATED SOL-GEL SORBENTS | UNIVERSITY OF SOUTH FLORIDA (US) | 2014-02-27 | — | — | US | disclosed |
| US-8623279-B2 | Ionic liquid mediated sol-gel sorbents | UNIVERSITY OF SOUTH FLORIDA (US) | 2014-01-07 | — | — | US | disclosed |
| US-20120128551-A1 | IONIC LIQUID MEDIATED SOL-GEL SORBENTS | UNIVERSITY OF SOUTH FLORIDA (US) | 2012-05-24 | — | — | US | disclosed |
| WO-2010135660-A2 | IONIC LIQUID MEDIATED SOL-GEL SORBENTS | UNIVERSITY OF SOUTH FLORIDA (US) | 2010-11-25 | — | — | WO | disclosed |