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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 2/20 | 0.59 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.59 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | MME | P08473 | 1/20 | 0.58 |
| ▸ | ACE | P12821 | 5/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | NAALAD2 | Q9Y3Q0 | 1/20 | 0.55 |
| ▸ | ECE1 | P42892 | 1/20 | 0.55 |
| ▸ | MMP2 | P08253 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
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 SCHEMBL11242978 | 1.00 | CTSC (0.59) | CTSCITGB3ITGA2BLMNAMME | |
| SCHEMBL4432590 | 0.98 | CTSC (0.60) | CTSCITGB3ITGA2BLMNAMME | |
| SCHEMBL232699 | 0.98 | CTSC (0.60) | CTSCITGB3ITGA2BLMNAMME | |
| SCHEMBL232698 | 0.98 | CTSC (0.60) | CTSCITGB3ITGA2BLMNAMME | |
| Hydrochloric Acid SCHEMBL3634876 | 0.97 | CTSC (0.59) | CTSCITGB3ITGA2BLMNAMME | |
| Hydrochloric Acid SCHEMBL9501928 | 0.97 | CTSC (0.59) | CTSCITGB3ITGA2BLMNAMME | |
| Water SCHEMBL28030233 | 0.97 | CTSC (0.63) | CTSCITGB3ITGA2BLMNAMME | |
| Water SCHEMBL28030234 | 0.97 | CTSC (0.63) | CTSCITGB3ITGA2BLMNAMME | |
| SCHEMBL8068319 | 0.92 | MME (0.61) | CTSCITGB3ITGA2BLMNAMME | |
| SCHEMBL8068326 | 0.92 | MME (0.61) | CTSCITGB3ITGA2BLMNAMME |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4350628-A | OXIDATIVE DEHYDROGENATION WITH A BENZOQUINONE | RESEARCH CORPORATION (US) | 1982-09-21 | — | — | US | disclosed |
| US-4283328-A | TREATING AN N-BLOCKED AMINO ACID RESIDUE WITH A TETRAMETHYL GUANIDINIUM SALT OF A PEPTIDE CHAIN | RESEARCH CORPORATION (US) | 1981-08-11 | — | — | US | disclosed |
| US-4261884-A | DESIRABLE BIOLOGICAL PROPERTIES AND STABILITY TO ENZYME CLEAVAGE | RESEARCH CORPORATION (US) | 1981-04-14 | — | — | US | disclosed |
| EP-0010830-A2 | Dehydropeptides | Research Corporation (US) | 1980-05-14 | — | — | EP | disclosed |