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 | |
|---|---|---|---|---|
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.54 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.54 |
| ▸ | AR | P10275 | 1/20 | 0.52 |
| ▸ | TYR | P14679 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | CRHBP | P24387 | 1/20 | 0.51 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | MAOB | P27338 | 4/20 | 0.50 |
| ▸ | MAOA | P21397 | 3/20 | 0.50 |
| ▸ | MGAM | O43451 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | SI | P14410 | 1/20 | 0.50 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL29519297 | 0.98 | AMY1A (0.61) | AMY1AKDM4EALDH1A1HSP90AA1HSP90AB1 | |
| SCHEMBL129994 | 0.98 | AMY1A (0.61) | AMY1AKDM4EALDH1A1HSP90AA1HSP90AB1 | |
| SCHEMBL1800878 | 0.84 | ALDH1A1 (0.65) | AMY1AKDM4EALDH1A1TYRLTA4H | |
| SCHEMBL2763416 | 0.83 | LTA4H (0.66) | AMY1AKDM4EALDH1A1HSP90AA1HSP90AB1 | |
| SCHEMBL1800902 | 0.81 | ALDH1A1 (0.54) | AMY1AKDM4EALDH1A1TYRRAB9A | |
| SCHEMBL1801511 | 0.81 | MPL (0.63) | AMY1AKDM4EALDH1A1TYRRAB9A | |
| SCHEMBL3772613 | 0.81 | AR (0.54) | AMY1AKDM4EALDH1A1HSP90AA1HSP90AB1 | |
| SCHEMBL8803920 | 0.79 | AR (0.52) | AMY1AKDM4EHSP90AA1HSP90AB1AR | |
| SCHEMBL1802577 | 0.79 | MPL (0.65) | AMY1AKDM4EALDH1A1TYRRAB9A | |
| SCHEMBL8698255 | 0.79 | MAPT (0.53) | AMY1AKDM4EHSP90AA1HSP90AB1AR |
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 |