Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | CCR2 | P41597 | 1/20 | 0.39 |
| ▸ | CLPP | Q16740 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
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 SCHEMBL8478935 | 1.00 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP1A2SIGMAR1CCR2 | |
| Bromide SCHEMBL8563399 | 0.91 | HDAC1 (0.43) | CYP2C9MEN1ALDH1A1KMT2ACYP2D6 | |
| Bromide SCHEMBL8563395 | 0.91 | HDAC1 (0.43) | CYP2C9MEN1ALDH1A1KMT2ACYP2D6 | |
| Bromide SCHEMBL8482059 | 0.86 | ALDH1A1 (0.46) | SIGMAR1CLPPALDH1A1MAPK1TRPV6 | |
| Bromide SCHEMBL8482064 | 0.86 | ALDH1A1 (0.46) | SIGMAR1CLPPALDH1A1MAPK1TRPV6 | |
| Bromide SCHEMBL8900117 | 0.85 | KCNH2 (0.44) | ALDH1A1RAB9A | |
| Bromide SCHEMBL8559098 | 0.85 | KCNH2 (0.44) | ALDH1A1RAB9A | |
| Bromide SCHEMBL8900165 | 0.84 | BCHE (0.43) | SIGMAR1CLPPALDH1A1KDM4E | |
| Bromide SCHEMBL8563893 | 0.84 | BCHE (0.43) | SIGMAR1CLPPALDH1A1KDM4E | |
| Bromide SCHEMBL8567147 | 0.81 | SIGMAR1 (0.47) | SIGMAR1MEN1KMT2A |
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-5935950-A | AN ANTIBIOTIC COMPRISING A PYRIDINIUM RING WHICH CAN HYDROLYZABLE IN VIVO | HOFFMANN-LA ROCHE INC. (US) | 1999-08-10 | — | — | US | disclosed |
| EP-0838465-A1 | Pyridinium-substituted (lactamylvinyl)cephalosporin derivatives, their preparation and their use as antibiotics | F. HOFFMANN-LA ROCHE AG (CH) | 1998-04-29 | — | — | EP | disclosed |