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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | NAAA | Q02083 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 8/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3124267 | 0.98 | LMNA (0.44) | LMNAALDH1A1TSHRHSD17B10MEN1 | |
| SCHEMBL2567393 | 0.98 | LMNA (0.44) | LMNAALDH1A1TSHRHSD17B10MEN1 | |
| Hydrochloric Acid SCHEMBL1804687 | 0.96 | LMNA (0.42) | LMNAALDH1A1TSHRHSD17B10MEN1 | |
| Hydrochloric Acid SCHEMBL5353822 | 0.96 | LMNA (0.42) | LMNAALDH1A1TSHRHSD17B10MEN1 | |
| SCHEMBL12521850 | 0.96 | SMN1; SMN2 (0.42) | LMNAALDH1A1TSHRHSD17B10MEN1 | |
| SCHEMBL16628432 | 0.92 | EPHX1 (0.39) | LMNAALDH1A1TSHRHSD17B10MEN1 | |
| Fluoride SCHEMBL9760387 | 0.87 | RRM1 (0.45) | LMNAALDH1A1TSHRHSD17B10MEN1 | |
| SCHEMBL7623261 | 0.87 | ALDH1A1 (0.53) | ALDH1A1MEN1KMT2AKDM4ECNR1 | |
| SCHEMBL2999471 | 0.87 | ALDH1A1 (0.53) | ALDH1A1MEN1KMT2AKDM4ECNR1 | |
| SCHEMBL28675328 | 0.86 | LMNA (0.43) | LMNAALDH1A1TSHRHSD17B10MEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4521629-A | REACTINGH AN AROMATIC ALDEHYDE WITH ACETONE | AMERICAN CYANAMID COMPANY (US) | 1985-06-04 | — | — | US | claimed |
| CN-102180803-A | Solvent-free synthesis method of dodecyl bis(2-hydroxyethyl)methylammonium bromide | GUANGZHOU VOCATIONAL COLLEGE OF TECHNOLOGY & BUSINESS | 2011-09-14 | — | — | CN | disclosed |
| CN-102180803-A | Solvent-free synthesis method of dodecyl bis(2-hydroxyethyl)methylammonium bromide | GUANGZHOU VOCATIONAL COLLEGE OF TECHNOLOGY & BUSINESS | 2011-09-14 | — | — | CN | disclosed |