Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 4/20 | 0.58 |
| ▸ | HTR6 | P50406 | 5/20 | 0.53 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.50 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.48 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.48 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.41 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 3/20 | 0.41 |
| ▸ | HTR7 | P34969 | 2/20 | 0.41 |
| ▸ | HTR2B | P41595 | 2/20 | 0.41 |
| ▸ | HTR5A | P47898 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 4/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 3/20 | 0.39 |
| ▸ | DRD4 | P21917 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12479624 | 0.77 | MAPT (0.52) | HTR2AHTR6MEN1KMT2AHTR1A | |
| SCHEMBL16612680 | 0.75 | HTR2A (0.58) | HTR2AHTR6HCRTR2MTNR1AMTNR1B | |
| SCHEMBL12479723 | 0.75 | MTNR1A (0.50) | HCRTR2MTNR1AMTNR1BMEN1KMT2A | |
| SCHEMBL1460696 | 0.75 | HTR2A (1.00) | HTR2AHTR6MTNR1AMTNR1BSCN5A | |
| SCHEMBL29728139 | 0.75 | HTR2A (1.00) | HTR2AHTR6MTNR1AMTNR1BSCN5A | |
| Hydrochloric Acid SCHEMBL2538916 | 0.73 | HTR2A (0.97) | HTR2AHTR6MTNR1AMTNR1BSCN5A | |
| Methane SCHEMBL15520314 | 0.73 | HTR2A (0.97) | HTR2AHTR6MTNR1AMTNR1BSCN5A | |
| SCHEMBL24723416 | 0.73 | HTR1A (0.70) | HTR2AHTR6MTNR1AMTNR1BHTR1A | |
| SCHEMBL32669456 | 0.73 | HTR2A (0.63) | HTR2AHTR6MTNR1AMTNR1BHTR1A | |
| SCHEMBL26508356 | 0.73 | HTR1A (0.66) | HTR2AHTR6MTNR1AMTNR1BHTR1A |
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 5 patents. 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 | claimed |
| EP-2675801-A1 | NOVEL PYRAZOLE AND IMIDAZOLE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS | Actelion Pharmaceuticals Ltd. (CH) | 2013-12-25 | — | — | EP | claimed |
| WO-2012110986-A1 | NOVEL PYRAZOLE AND IMIDAZOLE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2012-08-23 | — | — | WO | claimed |
| EP-2675801-A1 | NOVEL PYRAZOLE AND IMIDAZOLE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS | Actelion Pharmaceuticals Ltd. (CH) | 2013-12-25 | — | — | EP | disclosed |
| WO-2012110986-A1 | NOVEL PYRAZOLE AND IMIDAZOLE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2012-08-23 | — | — | WO | disclosed |