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 | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 5/20 | 0.80 |
| ▸ | RAB9A | P51151 | 8/20 | 0.67 |
| ▸ | NPC1 | O15118 | 6/20 | 0.67 |
| ▸ | MAPT | P10636 | 5/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.63 |
| ▸ | LMNA | P02545 | 2/20 | 0.63 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.63 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.63 |
| ▸ | RELA | Q04206 | 2/20 | 0.63 |
| ▸ | MEN1 | O00255 | 1/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.63 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.63 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.63 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.63 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | NOS1 | P29475 | 1/20 | 0.56 |
| ▸ | VCP | P55072 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL430121 | 0.98 | LTA4H (0.83) | LTA4HRAB9ANPC1MAPTSMN1; SMN2 | |
| Iodide SCHEMBL5456843 | 0.88 | LTA4H (0.97) | LTA4HRAB9ANPC1MAPTSMN1; SMN2 | |
| Iodide SCHEMBL5464610 | 0.88 | LTA4H (0.69) | LTA4HRAB9ANPC1MAPTSMN1; SMN2 | |
| SCHEMBL1771825 | 0.87 | ALDH1A1 (0.79) | LTA4HRAB9ANPC1MAPTSMN1; SMN2 | |
| SCHEMBL23610361 | 0.85 | ALDH1A1 (0.83) | LTA4HRAB9ANPC1MAPTSMN1; SMN2 | |
| SCHEMBL172279 | 0.81 | ALDH1A1 (0.70) | LTA4HRAB9ANPC1MAPTSMN1; SMN2 | |
| SCHEMBL11279870 | 0.80 | LTA4H (0.71) | LTA4HRAB9ANPC1MAPTSMN1; SMN2 | |
| Bromide SCHEMBL4433292 | 0.80 | RAB9A (1.00) | LTA4HRAB9ANPC1MAPTSMN1; SMN2 | |
| Bromide SCHEMBL8360772 | 0.80 | LTA4H (0.77) | LTA4HRAB9ANPC1MAPTSMN1; SMN2 | |
| Bromide SCHEMBL8355363 | 0.79 | RAB9A (0.57) | LTA4HRAB9ANPC1MAPTSMN1; 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-5958910-A | Use of N-(4-aryl-thiazol-2-yl)-sulfonamides | HOFFMANN-LA ROCHE INC. (US) | 1999-09-28 | — | — | US | disclosed |
| US-5877193-A | NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS | HOFFMANN-LA ROCHE INC. (US) | 1999-03-02 | — | — | US | disclosed |