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 | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
| ▸ | PAK4 | O96013 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | CSF1R | P07333 | 1/20 | 0.33 |
| ▸ | RET | P07949 | 1/20 | 0.33 |
| ▸ | IGF1R | P08069 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15565899 | 0.98 | KMT2A (0.52) | HTTKMT2ADYRK1AIDO1MAPT | |
| Bromide SCHEMBL725234 | 0.84 | KMT2A (0.54) | HTTKMT2ADYRK1AIDO1MAPT | |
| SCHEMBL1104634 | 0.82 | KMT2A (0.56) | HTTKMT2ADYRK1AIDO1MAPT | |
| Hydrochloric Acid SCHEMBL858442 | 0.80 | KMT2A (0.54) | HTTKMT2ADYRK1AIDO1MAPT | |
| Bromide SCHEMBL1093352 | 0.78 | HTT (0.52) | HTTKMT2ADYRK1AIDO1MAPT | |
| Bromide SCHEMBL29799808 | 0.78 | HTT (0.52) | HTTKMT2ADYRK1AIDO1MAPT | |
| Bromide SCHEMBL29799711 | 0.78 | HTT (0.52) | HTTKMT2ADYRK1AIDO1MAPT | |
| SCHEMBL14051242 | 0.78 | HTT (0.56) | HTTKMT2ADYRK1AIDO1MAPT | |
| SCHEMBL29607382 | 0.78 | HTT (0.56) | HTTKMT2ADYRK1AIDO1MAPT | |
| SCHEMBL23534521 | 0.77 | KMT2A (0.46) | HTTKMT2ADYRK1AIDO1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-102656158-B | Novel heterocyclic acrylamides and their use as pharmaceuticals | FAB PHARMA SAS | 2015-02-11 | — | — | CN | disclosed |
| CN-102656158-A | Novel heterocyclic acrylamides and their use as pharmaceuticals | FAB PHARMA SAS | 2012-09-05 | — | — | CN | disclosed |
| CN-1197860-C | FAB I inhibitors | SMITHKLINE BEECHAM CORP (CA) | 2005-04-20 | — | — | CN | disclosed |
| CN-1378542-A | Antigen binding fragment I inhibitors | SMITHKLINE BEECHAM CORP (US) | 2002-11-06 | — | — | CN | disclosed |