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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | HPGD | P15428 | 4/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 3/20 | 0.50 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.50 |
| ▸ | NCF1 | P14598 | 1/20 | 0.48 |
| ▸ | NOS2 | P35228 | 1/20 | 0.48 |
| ▸ | BACE1 | P56817 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.46 |
| ▸ | GPR3 | P46089 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.46 |
| ▸ | CASP7 | P55210 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL462847 | 0.98 | ALDH1A1 (0.52) | ALDH1A1KDM4EHPGDMAPTHSD17B10 | |
| SCHEMBL27999697 | 0.98 | ALDH1A1 (0.52) | ALDH1A1KDM4EHPGDMAPTHSD17B10 | |
| SCHEMBL29447182 | 0.98 | ALDH1A1 (0.52) | ALDH1A1KDM4EHPGDMAPTHSD17B10 | |
| Ammonia Solution, Strong SCHEMBL27825755 | 0.95 | ALDH1A1 (0.50) | ALDH1A1KDM4EHPGDMAPTHSD17B10 | |
| Ammonia Solution, Strong SCHEMBL22288229 | 0.95 | ALDH1A1 (0.50) | ALDH1A1KDM4EHPGDMAPTHSD17B10 | |
| Hydrochloric Acid SCHEMBL27776055 | 0.95 | ALDH1A1 (0.50) | ALDH1A1KDM4EHPGDMAPTHSD17B10 | |
| Benzene SCHEMBL28261497 | 0.95 | ALDH1A1 (0.50) | ALDH1A1KDM4EHPGDMAPTHSD17B10 | |
| Bromide SCHEMBL27818577 | 0.93 | PDE10A (0.48) | ALDH1A1KDM4EHPGDMAPTHSD17B10 | |
| Carbon Dioxide SCHEMBL28214588 | 0.89 | ALDH1A1 (0.46) | ALDH1A1KDM4EHPGDMAPTHSD17B10 | |
| Bicarbonate SCHEMBL28314157 | 0.87 | ALDH1A1 (0.58) | ALDH1A1KDM4EHPGDMAPTHSD17B10 |
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-6548499-B1 | N-(1-Azabicyclo(2.2.2)octanyl-3-pyridinyl)-3-(2-pyridinyl)-2 -quinoxalinamine, for example; treating various chemokine mediated diseases | MILLENNIUM PHARMACEUTICALS, INC. | 2003-04-15 | — | — | US | disclosed |
| WO-1999042463-A1 | SUBSTITUTED QUINOXALINE DERIVATIVES AS INTERLEUKIN-8 RECEPTOR ANTAGONISTS | WARNER-LAMBERT COMPANY (US) | 1999-08-26 | — | — | WO | disclosed |