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 | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 11/20 | 0.59 |
| ▸ | CES1 | P23141 | 11/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | DAO | P14920 | 1/20 | 0.46 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL5073645 | 0.82 | CES2 (0.77) | CES2CES1ALDH1A1TSHRDAO | |
| Benzil SCHEMBL11188604 | 0.80 | CES2 (0.74) | CES2CES1ALDH1A1TSHRDAO | |
| SCHEMBL5041038 | 0.80 | CES2 (0.46) | CES2CES1ALDH1A1TSHRDAO | |
| Benzil SCHEMBL35210470 | 0.79 | CES2 (0.82) | CES2CES1ALDH1A1TSHRDAO | |
| Benzil SCHEMBL28859327 | 0.79 | CES2 (0.93) | CES2CES1ALDH1A1TSHRDAO | |
| Benzil SCHEMBL2227748 | 0.79 | CES2 (0.93) | CES2CES1ALDH1A1TSHRDAO | |
| SCHEMBL11159139 | 0.78 | CES2 (0.62) | CES2CES1ALDH1A1TSHRDAO | |
| SCHEMBL8438961 | 0.77 | CES2 (0.68) | CES2CES1ALDH1A1TSHRDAO | |
| SCHEMBL6520575 | 0.77 | CES1 (0.68) | CES2CES1ALDH1A1TSHRDAO | |
| SCHEMBL263843 | 0.77 | CES1 (0.68) | CES2CES1ALDH1A1TSHRDAO |
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 |
|---|---|---|---|---|---|---|---|
| US-5306789-A | Polyethers, polyphthalazines, polyisoquinolines | HAY ALLAN S (CA) | 1994-04-26 | — | — | US | disclosed |