Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT2 | Q8IXJ6 | 2/20 | 0.39 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.38 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | HTR6 | P50406 | 1/20 | 0.37 |
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.36 |
| ▸ | ICMT | O60725 | 1/20 | 0.36 |
| ▸ | HPGDS | O60760 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16612857 | 0.86 | MTNR1A (0.44) | KMT2ALMNASMN1; SMN2HTR1ADRD2 | |
| SCHEMBL16612775 | 0.85 | MAOB (0.41) | MAOBPARP10SMN1; SMN2 | |
| SCHEMBL16612728 | 0.80 | NR3C2 (0.43) | MAOBPARP10PARP1 | |
| SCHEMBL15520701 | 0.77 | L3MBTL1 (0.50) | KMT2AMAOBPARP10SMN1; SMN2NPSR1 | |
| SCHEMBL16612880 | 0.76 | DRD2 (0.45) | HCRTR2KMT2AMAOBLMNASMN1; SMN2 | |
| SCHEMBL16612782 | 0.74 | HCRTR2 (0.39) | HCRTR2HTR1AHTR7GRM5PARP1 | |
| SCHEMBL16612665 | 0.74 | HCRTR2 (0.39) | HCRTR2 | |
| SCHEMBL16613032 | 0.73 | HCRTR2 (0.44) | HCRTR2 | |
| SCHEMBL16612990 | 0.72 | HCRTR2 (0.39) | HCRTR2 | |
| SCHEMBL16612943 | 0.72 | SIGMAR1 (0.47) | MAOBHDAC6HDAC1PARP1 |
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-2675801-B1 | NOVEL PYRAZOLE AND IMIDAZOLE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2015-04-08 | — | — | EP | disclosed |