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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.31 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7122888 | 0.67 | NPC1 (0.55) | POLBNPC1RAB9AKDM4ESMN1; SMN2 | |
| SCHEMBL21240978 | 0.58 | ALDH1A1 (0.37) | POLBNPC1RAB9AKDM4ESMN1; SMN2 | |
| SCHEMBL11983370 | 0.57 | MAPK1 (0.54) | — | |
| SCHEMBL6938232 | 0.53 | ALPI (0.54) | POLBNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL11955666 | 0.51 | GSK3A (0.55) | POLBRAB9ASMN1; SMN2 | |
| Acetic Acid SCHEMBL10683356 | 0.50 | DAO (0.61) | POLBNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL13527664 | 0.47 | NPSR1 (0.46) | KDM4ESMN1; SMN2 | |
| SCHEMBL2872059 | 0.47 | GSK3B (0.67) | NPC1RAB9AKDM4ESMN1; SMN2 | |
| Butanone SCHEMBL21932538 | 0.46 | ALDH1A1 (0.59) | — | |
| SCHEMBL15755482 | 0.46 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0164635-A2 | Imidazothiazolemethylene-acetohydrazide derivatives, preparation thereof and pharmaceutical composition having diuretic activity | MEDIOLANUM FARMACEUTICI s.r.l. (IT) | 1985-12-18 | — | — | EP | disclosed |