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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | NOS1 | P29475 | 2/20 | 0.40 |
| ▸ | NOS2 | P35228 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 5/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8838373 | 0.99 | PDE10A (0.51) | PDE10AHSP90AA1HSP90AB1MAPTALDH1A1 | |
| SCHEMBL8838437 | 0.80 | PDE10A (0.55) | PDE10AHSP90AA1HSP90AB1MAPTALDH1A1 | |
| SCHEMBL8838403 | 0.80 | PDE10A (0.51) | PDE10AHSP90AA1HSP90AB1MAPTALDH1A1 | |
| SCHEMBL26964296 | 0.79 | PDE10A (0.54) | PDE10AHSP90AA1HSP90AB1MAPTALDH1A1 | |
| SCHEMBL27397063 | 0.78 | PDE10A (0.53) | PDE10AHSP90AA1HSP90AB1MAPTALDH1A1 | |
| Bromide SCHEMBL7469974 | 0.77 | KDM4E (0.55) | PARP1MEN1KMT2AKDM4ETSHR | |
| Bromide SCHEMBL8838429 | 0.77 | PARP1 (0.40) | PDE10AALDH1A1L3MBTL1PARP1TDP1 | |
| Tetramethylammonium Ion SCHEMBL8838445 | 0.76 | PDE10A (0.54) | PDE10AHSP90AA1HSP90AB1MAPTALDH1A1 | |
| SCHEMBL7795676 | 0.75 | PDE10A (0.60) | PDE10AHSP90AA1HSP90AB1MAPTALDH1A1 | |
| Bromide SCHEMBL7460540 | 0.73 | PARP1 (0.42) | PDE10AMAPTALDH1A1L3MBTL1PARP1 |
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-5625068-A | Substituted quinoline herbicide intermediates and process | AMERICAN CYANAMID COMPANY (US) | 1997-04-29 | — | — | US | disclosed |
| EP-0747361-A1 | Substituted quinoline herbicide intermediates and process | American Cyanamid Company (US) | 1996-12-11 | — | — | EP | disclosed |