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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.31 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL28298974 | 0.91 | HCAR2 (0.41) | HCAR2ALDH1A1LMNAESR1CHRM1 | |
| SCHEMBL101436 | 0.89 | — | — | |
| SCHEMBL4686450 | 0.89 | — | — | |
| Ammonia Solution, Strong SCHEMBL17600050 | 0.86 | HCAR2 (0.41) | HCAR2ALDH1A1LMNAESR1CHRM1 | |
| SCHEMBL28505137 | 0.82 | HCAR2 (0.39) | HCAR2ALDH1A1LMNAESR1CHRM1 | |
| SCHEMBL28118273 | 0.81 | ALDH1A1 (0.50) | HCAR2ALDH1A1LMNAESR1TSHR | |
| SCHEMBL1396454 | 0.78 | HCAR2 (0.36) | HCAR2ALDH1A1LMNAESR1CHRM1 | |
| SCHEMBL3912854 | 0.77 | DGKA (0.45) | HCAR2ALDH1A1LMNAMAPK1 | |
| SCHEMBL12390088 | 0.76 | HSD17B10 (0.43) | HCAR2ALDH1A1TSHRTDP1HSD17B10 | |
| Ethylene Glycol Diisobutanoate SCHEMBL843146 | 0.75 | TSHR (0.36) | ALDH1A1TSHR |
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-109735321-A | A kind of preparation method of pH response type intelligent proppant | 北京大学 | 2019-05-10 | — | — | CN | claimed |
| CN-109735321-A | A kind of preparation method of pH response type intelligent proppant | 北京大学 | 2019-05-10 | — | — | CN | disclosed |