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 | 0.56 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.56 |
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.56 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.56 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.56 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.56 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.56 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.56 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.56 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.56 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.60 |
| ▸ | RAB9A | P51151 | 4/20 | 0.60 |
| ▸ | MAPT | P10636 | 4/20 | 0.60 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.60 |
| ▸ | LMNA | P02545 | 2/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.60 |
| ▸ | GLA | P06280 | 1/20 | 0.60 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.60 |
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 SCHEMBL28972745 | 0.86 | MLNR (0.76) | ALDH1A1SMN1; SMN2RAB9AMAPTNPSR1 | |
| Propylformate SCHEMBL28300667 | 0.80 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2RAB9ALMNAKMT2A | |
| SCHEMBL3744047 | 0.80 | ALDH1A1 (0.66) | ALDH1A1SMN1; SMN2RAB9ALMNAKMT2A | |
| SCHEMBL12700202 | 0.79 | ALDH1A1 (0.73) | ALDH1A1SMN1; SMN2RAB9AMAPTNPSR1 | |
| SCHEMBL12173053 | 0.77 | KMT2A (0.78) | ALDH1A1SMN1; SMN2RAB9AMAPTNPSR1 | |
| Benzoic Acid Hexyl Ester SCHEMBL29700572 | 0.77 | ALDH1A1 (0.62) | ALDH1A1RAB9AMAPTLMNAMAPK1 | |
| SCHEMBL30125107 | 0.77 | ALDH1A1 (0.62) | ALDH1A1RAB9AMAPTLMNAMAPK1 | |
| SCHEMBL9442368 | 0.77 | ALDH1A1 (0.62) | ALDH1A1RAB9AMAPTLMNAMAPK1 | |
| SCHEMBL13927144 | 0.76 | ALDH1A1 (0.75) | ALDH1A1SMN1; SMN2RAB9AMAPTNPSR1 | |
| SCHEMBL6271944 | 0.76 | ALDH1A1 (0.68) | ALDH1A1SMN1; SMN2RAB9AMAPTLMNA |
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-109824536-A | A kind of preparation method of Otilonium Bromide | 辽宁博美医药科技有限公司 | 2019-05-31 | — | — | CN | disclosed |