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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR7 | P34969 | 1/20 | 0.43 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.43 |
| ▸ | CHEK1 | O14757 | 5/20 | 0.40 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 4/20 | 0.39 |
| ▸ | DRD2 | P14416 | 3/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 2/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 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 | |
|---|---|---|---|---|
| SCHEMBL7997014 | 0.99 | HTR7 (0.44) | HTR7PTK2CHEK1CCNE1CDK2 | |
| Bromide SCHEMBL7991351 | 0.90 | LMNA (0.41) | HTR7CHEK1CCNE1CDK2DRD4 | |
| Bromide SCHEMBL7993380 | 0.90 | ABCB1 (0.51) | HTR7CHEK1DRD4DRD2ABCB1 | |
| SCHEMBL7993833 | 0.89 | LMNA (0.41) | HTR7CHEK1CCNE1CDK2DRD4 | |
| SCHEMBL7979506 | 0.89 | ABCB1 (0.52) | HTR7CHEK1DRD4DRD2ABCB1 | |
| Bromide SCHEMBL7993358 | 0.88 | DRD2 (0.43) | HTR7DRD4DRD2KDM4EDRD3 | |
| SCHEMBL7991687 | 0.87 | DRD2 (0.43) | HTR7DRD4DRD2KDM4EDRD3 | |
| SCHEMBL7996949 | 0.86 | PTK2 (0.47) | PTK2DRD4DRD2KDM4EALDH1A1 | |
| SCHEMBL7990254 | 0.85 | KDM4E (0.41) | CHEK1KDM4EALDH1A1CYP11B2 | |
| SCHEMBL7979110 | 0.85 | DRD4 (0.46) | DRD4DRD2KDM4EALDH1A1DRD3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000018763-A2 | 2-(2,3-DIHYDROBENZOFURAN-5-YL)-4-AMINOMETHYLIMIDAZOLES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS | NEUROGEN CORPORATION (US) | 2000-04-06 | — | — | WO | disclosed |