Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.37 |
| ▸ | KMO | O15229 | 2/20 | 0.36 |
| ▸ | KRAS | P01116 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 3/20 | 0.33 |
| ▸ | HTR2C | P28335 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | PLAU | P00749 | 2/20 | 0.32 |
| ▸ | PLG | P00747 | 1/20 | 0.32 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.31 |
| ▸ | CCR2 | P41597 | 1/20 | 0.31 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16612656 | 0.88 | HCRTR2 (0.42) | HDAC6HDAC1HDAC8HCRTR2KMO | |
| SCHEMBL12480072 | 0.87 | HTR2A (0.41) | HDAC6HDAC1HDAC8HCRTR2KMO | |
| SCHEMBL16612831 | 0.83 | HCRTR2 (0.42) | HDAC6HDAC1HDAC8HCRTR2 | |
| SCHEMBL16612876 | 0.83 | HTR2C (0.41) | HCRTR2KMOLMNAHTR2AHTR2C | |
| SCHEMBL16613000 | 0.83 | HTR2A (0.42) | HDAC6HDAC1HDAC8HCRTR2LMNA | |
| SCHEMBL16612954 | 0.82 | LMNA (0.53) | LMNAHTR2AHTR2CCYP1A2CYP3A4 | |
| SCHEMBL16612868 | 0.81 | MTNR1A (0.49) | HDAC6HDAC1HDAC8HCRTR2LMNA | |
| SCHEMBL16612854 | 0.80 | MTNR1A (0.52) | HDAC6HDAC1HDAC8HCRTR2LMNA | |
| SCHEMBL16612871 | 0.79 | HCRTR2 (0.36) | HCRTR2CXCR3 | |
| SCHEMBL16612982 | 0.78 | HCRTR2 (0.44) | HCRTR2 |
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 | claimed |