Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 7/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 7/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 3/20 | 0.32 |
| ▸ | HTR2B | P41595 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | PDE6D | O43924 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4650542 | 0.75 | HTR2C (0.37) | HTR2CSLC6A4SLC6A2SLC6A3HTR2A | |
| SCHEMBL4649629 | 0.71 | CYP1A2 (0.36) | HTR2CSLC6A4SLC6A2SLC6A3HTR2A | |
| SCHEMBL1779941 | 0.68 | SLC6A2 (0.37) | SLC6A4SLC6A2SLC6A3PDE10ATDP1 | |
| SCHEMBL6777260 | 0.63 | HTR3E (0.59) | HTR2CSLC6A4PDE10AHTR2ATDP1 | |
| SCHEMBL1779939 | 0.61 | CCR2 (0.51) | SLC6A4SLC6A2SLC6A3PDE10AKCNH2 | |
| SCHEMBL27124181 | 0.58 | CPN1 (0.43) | SLC6A4SLC6A2SLC6A3CYP2D6KCNH2 | |
| Hydrochloric Acid SCHEMBL7986335 | 0.58 | SLC6A2 (0.39) | SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL1777669 | 0.57 | KDM4E (0.52) | HTR2CSLC6A4PDE10ATDP1 | |
| SCHEMBL1777674 | 0.57 | KDM4E (0.52) | HTR2CSLC6A4PDE10ATDP1 | |
| SCHEMBL934587 | 0.57 | HTT (0.49) | — |
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-1966187-A1 | PIPERAZINE COMPOUNDS USEFUL AS ANTAGONISTS OF C-C CHEMOKINES (CCR2B AND CCR5) FOR THE TREATMENT OF INFLAMMATORY DISEASES | AstraZeneca AB (SE) | 2008-09-10 | — | — | EP | disclosed |
| WO-2007071952-A1 | PIPERAZINE COMPOUNDS USEFUL AS ANTAGONISTS OF C-C CHEMOKINES (CCR2B AND CCR5) FOR THE TREATMENT OF INFLAMMATORY DISEASES | ASTRAZENECA AB (SE) | 2007-06-28 | — | — | WO | disclosed |