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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | LSS | P48449 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA3 | P07451 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | THRA | P10827 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3428918 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL28006861 | 0.94 | MAPT (0.45) | MAPTCHRM2ALDH1A1LSSCA12 | |
| Bromide SCHEMBL17273286 | 0.92 | MAPT (0.43) | MAPTCHRM2ALDH1A1LSSCA12 | |
| SCHEMBL15287 | 0.91 | MAPT (0.44) | MAPTCHRM2ALDH1A1LSSCA12 | |
| SCHEMBL26493869 | 0.88 | MAPT (0.45) | MAPTCHRM2ALDH1A1LSSCA12 | |
| SCHEMBL11713630 | 0.88 | MAPT (0.42) | MAPTCHRM2ALDH1A1LSSCA12 | |
| SCHEMBL7849316 | 0.88 | MAPT (0.50) | MAPTCHRM2ALDH1A1CA12CA2 | |
| SCHEMBL26756027 | 0.88 | MAPT (0.42) | MAPTCHRM2ALDH1A1LSSCA12 | |
| SCHEMBL7108954 | 0.88 | CA12 (0.44) | MAPTCHRM2ALDH1A1LSSCA12 | |
| Bromide SCHEMBL8460963 | 0.87 | — | — |
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-104853737-A | ORAL CARE COMPOSITION CONTAINING IONIC LIQUIDS | COLGATE PALMOLIVE CO | 2015-08-19 | — | — | CN | disclosed |