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 | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 5/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL10739512 | 0.97 | POLB (0.54) | POLBTDP1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL10739509 | 0.97 | POLB (0.54) | POLBTDP1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL14433706 | 0.97 | POLB (0.54) | POLBTDP1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL60588 | 0.97 | POLB (0.54) | POLBTDP1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL31737192 | 0.97 | POLB (0.54) | POLBTDP1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL174303 | 0.97 | POLB (0.54) | POLBTDP1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL29159685 | 0.94 | POLB (0.52) | POLBTDP1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL29043685 | 0.94 | POLB (0.52) | POLBTDP1ALDH1A1KDM4ESMN1; SMN2 | |
| Lithium SCHEMBL30537010 | 0.94 | POLB (0.52) | POLBTDP1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL28676184 | 0.94 | POLB (0.52) | POLBTDP1ALDH1A1KDM4ESMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6376510-B1 | ADMINISTERING A ALKOXY- AND ACYLOXY-SUBSTITUTED ARALKYL AND ARALKENYL BIS QUATERNARY AMMONIUM DERIVATIVES OF CYCLIC ALKANOL DIESTERS TO A HUMAN AS MUSCLE RELAXANTS | NEWLAXANT LLC | 2002-04-23 | — | — | US | disclosed |
| US-6274623-B1 | DI- OR POLY-ALKOXY-OR ACYLOXY-SUBSTITUTED ARALKYL AND ARAKENYL QUATERNARY AMMONIUM DERIVATIVES OF CYCLIC AMINOALKANOL DIESTERS SUCH AS BIS(N-(3,4-DIPROPIONYLOXY-BENZYL)GRANATANINIUM-3-ALPHA-YL)ADIPATE DIBROMIDE | NEWLAXANT LLC | 2001-08-14 | — | — | US | disclosed |