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 | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.64 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | CES2 | O00748 | 1/20 | 0.55 |
| ▸ | CES1 | P23141 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 5/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL506537 | 0.98 | KMT2A (0.67) | KMT2ALMNACES2CES1HSD17B10 | |
| SCHEMBL31395448 | 0.86 | MAPT (0.70) | KMT2ALMNACES2CES1MAOB | |
| SCHEMBL12375837 | 0.80 | CES2 (0.64) | KMT2ALMNACES2CES1HSD17B10 | |
| Acetone SCHEMBL28624234 | 0.80 | ALDH1A1 (0.59) | KMT2ACES2CES1L3MBTL1MAPT | |
| SCHEMBL253937 | 0.80 | KMT2A (0.61) | KMT2ALMNAHSD17B10MAOBL3MBTL1 | |
| Phenacyl Chloride SCHEMBL28106868 | 0.79 | ALDH1A1 (0.59) | KMT2ALMNACES2CES1HSD17B10 | |
| Benzonitrile SCHEMBL28107146 | 0.79 | CES2 (0.53) | KMT2ALMNACES2CES1HSD17B10 | |
| Bromide SCHEMBL1595413 | 0.79 | CES2 (0.63) | KMT2ACES2CES1L3MBTL1MAPT | |
| SCHEMBL9541276 | 0.78 | CES2 (0.61) | KMT2ALMNACES2CES1HPGD | |
| SCHEMBL35800 | 0.78 | CES2 (0.61) | KMT2ACES2CES1TSHRALDH1A1 |
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-103936819-B | Hepatitis c virus inhibitors | 百时美施贵宝公司 | 2016-11-16 | — | — | CN | disclosed |