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 | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.38 |
| ▸ | CA6 | P23280 | 3/20 | 0.38 |
| ▸ | CA7 | P43166 | 3/20 | 0.38 |
| ▸ | CA9 | Q16790 | 3/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.38 |
| ▸ | CASP2 | P42575 | 2/20 | 0.38 |
| ▸ | F13A1 | P00488 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | CA4 | P22748 | 2/20 | 0.38 |
| ▸ | CA5A | P35218 | 2/20 | 0.38 |
| ▸ | THPO | P40225 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | RECQL | P46063 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | UBE2N | P61088 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9398267 | 0.97 | CA12 (0.39) | CA12CA6CA7CA9CA14 | |
| Hydrochloric Acid SCHEMBL28033336 | 0.95 | UBE2N (0.42) | CA12CA6CA7CA9CA14 | |
| SCHEMBL23781485 | 0.89 | CA12 (0.50) | CA12CA6CA7CA9CA14 | |
| SCHEMBL4514254 | 0.84 | CA12 (0.33) | CA12CA6CA7CA9CA14 | |
| SCHEMBL27455456 | 0.81 | CA12 (0.50) | CA12CA6CA7CA9CA14 | |
| SCHEMBL2355773 | 0.81 | CA12 (0.50) | CA12CA6CA7CA9CA14 | |
| SCHEMBL12190390 | 0.79 | CA12 (0.52) | CA12CA6CA7CA9CA14 | |
| SCHEMBL8034732 | 0.78 | — | — | |
| SCHEMBL29241809 | 0.76 | CASP2 (0.35) | CA12CA6CA7CA9CA14 | |
| SCHEMBL27626145 | 0.76 | CYP1A2 (0.35) | CA12CA6CA7CA9CA14 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108084440-A | A kind of high stable cationoid hydroxyl silicon oil emulsion and preparation method | 上海应用技术大学 | 2018-05-29 | — | — | CN | disclosed |