Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 5/20 | 0.47 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.43 |
| ▸ | CD44 | P16070 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | STAT3 | P40763 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | NR2E3 | Q9Y5X4 | 1/20 | 0.37 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10066082 | 0.87 | AHR (0.45) | AHRCD44MEN1NPC1CYP1A2 | |
| SCHEMBL29801189 | 0.81 | AHR (0.65) | AHRHSD11B1MEN1CYP1A2KMT2A | |
| SCHEMBL4449938 | 0.81 | AHR (0.65) | AHRHSD11B1MEN1CYP1A2KMT2A | |
| SCHEMBL18618154 | 0.79 | ALDH1A1 (0.50) | AHRMEN1CYP1A2CYP2C19KMT2A | |
| SCHEMBL6452021 | 0.74 | AHR (0.47) | AHRHSD11B1CYP1A2PTGS2 | |
| SCHEMBL13906326 | 0.74 | HSD11B1 (0.47) | AHRHSD11B1MEN1NPC1RAB9A | |
| Sulfur Dioxide SCHEMBL28329775 | 0.74 | AHR (0.56) | AHRHSD11B1MEN1CYP1A2KMT2A | |
| SCHEMBL12054920 | 0.73 | AHR (0.60) | AHRMEN1CYP2C19KMT2AKDM4E | |
| SCHEMBL680179 | 0.73 | NOTUM (0.47) | AHRHSD11B1CYP1A2CYP2C19PTGS2 | |
| SCHEMBL30487478 | 0.73 | NOTUM (0.47) | AHRHSD11B1CYP1A2CYP2C19PTGS2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1947090-A1 | Method for preparing N-piperidino-1,5-diphenylpyrazole-3-carboxamide and derivatives | Laboratorios del Dr. Esteve S.A. (ES) | 2008-07-23 | — | — | EP | disclosed |