Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.48 |
| ▸ | AHR | P35869 | 4/20 | 0.47 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.47 |
| ▸ | F7 | P08709 | 1/20 | 0.47 |
| ▸ | LTA4H | P09960 | 1/20 | 0.47 |
| ▸ | F3 | P13726 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.43 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL84922 | 0.84 | PTGS2 (0.53) | PTGS2SLC6A2SLC6A4SLC6A3AHR | |
| SCHEMBL30548028 | 0.84 | PTGS2 (0.53) | PTGS2SLC6A2SLC6A4SLC6A3AHR | |
| SCHEMBL20235211 | 0.82 | NPC1 (0.58) | PTGS2SLC6A2SLC6A4SLC6A3NPC1 | |
| SCHEMBL31295446 | 0.81 | PTGS2 (0.54) | PTGS2SLC6A2SLC6A4SLC6A3AHR | |
| SCHEMBL22095908 | 0.81 | PTGS2 (0.50) | PTGS2SLC6A2SLC6A4SLC6A3AHR | |
| SCHEMBL30614372 | 0.81 | PTGS2 (0.54) | PTGS2SLC6A2SLC6A4SLC6A3AHR | |
| SCHEMBL14723295 | 0.81 | PTGS2 (0.50) | PTGS2SLC6A2SLC6A4SLC6A3AHR | |
| SCHEMBL20169180 | 0.81 | PTGS2 (0.50) | PTGS2SLC6A2SLC6A4SLC6A3AHR | |
| SCHEMBL19901078 | 0.81 | PTGS2 (0.50) | PTGS2SLC6A2SLC6A4SLC6A3AHR | |
| SCHEMBL7886722 | 0.81 | PTGS2 (0.50) | PTGS2SLC6A2SLC6A4SLC6A3AHR |
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-2015159103-A1 | PIPERAZINE DERIVATIVES FOR TREATING DISORDERS | THE UNIVERSITY OF NOTTINGHAM (GB) | 2015-10-22 | — | — | WO | disclosed |