Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.55 |
| ▸ | CCL2 | P13500 | 1/20 | 0.55 |
| ▸ | GPR3 | P46089 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | DRD2 | P14416 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 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 | |
|---|---|---|---|---|
| SCHEMBL8533808 | 0.79 | BRD4 (0.47) | BRD4CCL2GPR3HTR2AKDM4E | |
| SCHEMBL28242879 | 0.78 | BRD4 (0.50) | BRD4CCL2GPR3HTR2AKDM4E | |
| SCHEMBL10688105 | 0.77 | BRD4 (0.46) | BRD4CCL2GPR3HTR2AKDM4E | |
| SCHEMBL24061842 | 0.77 | BRD4 (0.49) | BRD4CCL2HTR2AKDM4ECYP3A4 | |
| SCHEMBL28378808 | 0.77 | BRD4 (0.49) | BRD4CCL2HTR2AKDM4ECYP3A4 | |
| SCHEMBL23193879 | 0.77 | BRD4 (0.49) | BRD4CCL2HTR2AKDM4ECYP3A4 | |
| SCHEMBL7551620 | 0.77 | BRD4 (0.49) | BRD4CCL2HTR2AKDM4ECYP3A4 | |
| SCHEMBL11155913 | 0.77 | BRD4 (0.49) | BRD4CCL2HTR2AKDM4ECYP3A4 | |
| SCHEMBL29848421 | 0.75 | BRD4 (0.47) | BRD4CCL2HTR2AKDM4ECYP3A4 | |
| Bromide SCHEMBL10686124 | 0.75 | BRD4 (0.44) | BRD4CCL2GPR3HTR2AKDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1255917-A | Anti-convulsant isoquinolyl-benzamide derivatives | SMITHKLINE BEECHAM PLC (GB) | 2000-06-07 | — | — | CN | disclosed |
| EP-0254179-A2 | Tetrahydrobenzothiazoloquinolines, their preparation and use | BOEHRINGER INGELHEIM KG (DE) | 1988-01-27 | — | — | EP | disclosed |
| US-4444868-A | CONTAINING STYRYL-TYPE NITROGEN-HETEROCYCLE RESIDUE POLYMER AND ACID | AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY (JP) | 1984-04-24 | — | — | US | disclosed |