Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | KCNJ1 | P48048 | 5/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 2/20 | 0.34 |
| ▸ | DRD2 | P14416 | 2/20 | 0.34 |
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL932044 | 0.79 | S1PR1 (0.39) | HTR2CHTR2BS1PR1 | |
| SCHEMBL931550 | 0.79 | S1PR1 (0.42) | S1PR1 | |
| SCHEMBL3789114 | 0.76 | NOTUM (0.52) | SIGMAR1SLC6A4KCNH2SLC6A2SLC6A3 | |
| SCHEMBL27876294 | 0.75 | TP53 (0.53) | SLC6A4KCNH2SLC6A2SLC6A3 | |
| Tert-Butyl Formate SCHEMBL27876352 | 0.72 | POLB (0.44) | SLC6A4 | |
| SCHEMBL28942211 | 0.71 | HDAC1 (0.44) | DRD2 | |
| SCHEMBL9901142 | 0.70 | HDAC1 (0.43) | HTR2CHTR2BCYP1A2CYP2D6HTR2A | |
| SCHEMBL16370572 | 0.70 | ATAD2 (0.44) | S1PR1 | |
| SCHEMBL12943601 | 0.70 | SIGMAR1 (0.56) | SIGMAR1SLC6A4KCNH2SLC6A2SLC6A3 | |
| SCHEMBL6617293 | 0.69 | HTR6 (0.51) | SIGMAR1SLC6A4HTR2CHTR2BCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2448934-A1 | 2-CARBOXAMIDE-7-PIPERAZINYL-BENZOFURAN DERIVATIVES 774 | AstraZeneca AB (SE) | 2012-05-09 | — | — | EP | disclosed |
| WO-2011002405-A1 | 2-CARBOXAMIDE-7-PIPERAZINYL-BENZOFURAN DERIVATIVES 774 | ASTRAZENECA AB (SE) | 2011-01-06 | — | — | WO | disclosed |