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 | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.73 |
| ▸ | RAB9A | P51151 | 7/20 | 0.73 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.73 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.73 |
| ▸ | MEN1 | O00255 | 6/20 | 0.73 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.73 |
| ▸ | MAPT | P10636 | 8/20 | 0.61 |
| ▸ | POLB | P06746 | 1/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.58 |
| ▸ | HTT | P42858 | 2/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.57 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | PKM | P14618 | 1/20 | 0.56 |
| ▸ | LTA4H | P09960 | 2/20 | 0.53 |
| ▸ | PLAU | P00749 | 1/20 | 0.53 |
| ▸ | GFER | P55789 | 2/20 | 0.53 |
| ▸ | AR | P10275 | 1/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.53 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL427925 | 0.98 | MEN1 (0.75) | NPC1RAB9AALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL29654017 | 0.91 | ALDH1A1 (0.66) | NPC1RAB9AALDH1A1SMN1; SMN2MEN1 | |
| Bromide SCHEMBL8360818 | 0.88 | RAB9A (0.69) | NPC1RAB9AALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL25288808 | 0.87 | RAB9A (0.73) | NPC1RAB9AALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL31084666 | 0.87 | RAB9A (0.73) | NPC1RAB9AALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL5328182 | 0.86 | RAB9A (0.71) | NPC1RAB9AALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL18471273 | 0.86 | ALDH1A1 (0.67) | NPC1RAB9AALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL17400472 | 0.86 | ALDH1A1 (0.67) | NPC1RAB9AALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL3147991 | 0.84 | MAPT (0.74) | NPC1RAB9AALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL21484770 | 0.84 | ALDH1A1 (0.69) | NPC1RAB9AALDH1A1SMN1; SMN2MEN1 |
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 |