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 | |
|---|---|---|---|---|
| ▸ | DNM1 | Q05193 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 7/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.36 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | ADH1C | P00326 | 1/20 | 0.34 |
| ▸ | ADH1A | P07327 | 1/20 | 0.34 |
| ▸ | ADH4 | P08319 | 1/20 | 0.34 |
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 SCHEMBL11234061 | 1.00 | DNM1 (0.46) | DNM1TSHRALDH1A1KCNH2FAAH | |
| Bromide SCHEMBL11245109 | 1.00 | DNM1 (0.46) | DNM1TSHRALDH1A1KCNH2FAAH | |
| Bromide SCHEMBL11244279 | 1.00 | DNM1 (0.46) | DNM1TSHRALDH1A1KCNH2FAAH | |
| Bromide SCHEMBL9011076 | 0.98 | TSHR (0.42) | DNM1TSHRALDH1A1KCNH2FAAH | |
| SCHEMBL11043940 | 0.98 | TSHR (0.48) | DNM1TSHRALDH1A1KCNH2FAAH | |
| SCHEMBL4755851 | 0.98 | TSHR (0.48) | DNM1TSHRALDH1A1KCNH2FAAH | |
| SCHEMBL9567939 | 0.98 | TSHR (0.48) | DNM1TSHRALDH1A1KCNH2FAAH | |
| SCHEMBL6257271 | 0.98 | TSHR (0.48) | DNM1TSHRALDH1A1KCNH2FAAH | |
| SCHEMBL7167469 | 0.98 | TSHR (0.48) | DNM1TSHRALDH1A1KCNH2FAAH | |
| SCHEMBL3237794 | 0.98 | TSHR (0.48) | DNM1TSHRALDH1A1KCNH2FAAH |
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-5101047-A | Sulfobetaine-substituted α-sulfonylcarboxylic acids from diallylammonium salts and a process for the preparation thereof | BALLSCHUH DETLEF (DE) | 1992-03-31 | — | — | US | disclosed |