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 | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.47 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.47 |
| ▸ | S1PR5 | Q9H228 | 3/20 | 0.47 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.47 |
| ▸ | SPHK2 | Q9NRA0 | 2/20 | 0.39 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 2/20 | 0.35 |
| ▸ | DRD1 | P21728 | 2/20 | 0.35 |
| ▸ | DRD4 | P21917 | 2/20 | 0.35 |
| ▸ | DRD3 | P35462 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL7026043 | 0.98 | S1PR1 (0.49) | S1PR1S1PR3S1PR5S1PR4SPHK2 | |
| Water SCHEMBL28363852 | 0.96 | S1PR1 (0.47) | S1PR1S1PR3S1PR5S1PR4SPHK2 | |
| SCHEMBL7027761 | 0.92 | S1PR1 (0.49) | S1PR1S1PR3S1PR5S1PR4SPHK2 | |
| Fluoride SCHEMBL30212629 | 0.90 | S1PR1 (0.48) | S1PR1S1PR3S1PR5S1PR4SPHK2 | |
| Ammonia Solution, Strong SCHEMBL27775764 | 0.90 | S1PR1 (0.48) | S1PR1S1PR3S1PR5S1PR4SPHK2 | |
| Formamide SCHEMBL28345024 | 0.87 | S1PR1 (0.46) | S1PR1S1PR3S1PR5S1PR4SPHK2 | |
| SCHEMBL18290250 | 0.86 | S1PR1 (0.58) | S1PR1S1PR3S1PR5S1PR4SPHK2 | |
| SCHEMBL30538435 | 0.86 | S1PR1 (0.56) | S1PR1S1PR3S1PR5S1PR4SPHK2 | |
| SCHEMBL18290248 | 0.86 | S1PR1 (0.58) | S1PR1S1PR3S1PR5S1PR4SPHK2 | |
| SCHEMBL12064295 | 0.85 | ALDH1A1 (0.47) | S1PR1S1PR3S1PR5S1PR4ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109825848-B | N, N- dialkyl pyrrolidinium bromide ionic liquid preparation method and applications | 深圳市万力克技术有限公司 | 2019-10-18 | — | — | CN | disclosed |
| CN-109825848-A | N, N- dialkyl pyrrolidinium bromide ionic liquid preparation method and applications | 深圳市万力克技术有限公司 | 2019-05-31 | — | — | CN | disclosed |