Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 3/20 | 0.42 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.42 |
| ▸ | DHODH | Q02127 | 1/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.38 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | KMO | O15229 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | ATR | Q13535 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | PORCN | Q9H237 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL440917 | 0.89 | HCRTR2 (0.44) | HCRTR1HCRTR2DHODHATRATM | |
| SCHEMBL7877771 | 0.82 | HCRTR1 (0.57) | HCRTR1HCRTR2DHODHHCAR2KMO | |
| SCHEMBL469126 | 0.81 | HCRTR1 (0.36) | HCRTR1HCRTR2DHODHPIM2PIM1 | |
| SCHEMBL451554 | 0.77 | HCRTR1 (0.46) | HCRTR1HCRTR2CYP3A4CYP2A6ATR | |
| SCHEMBL13097147 | 0.76 | CYP2A6 (0.44) | HCRTR1HCRTR2DHODHPIM2PIM1 | |
| SCHEMBL439577 | 0.73 | HCRTR1 (0.79) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL438304 | 0.73 | HCRTR2 (0.61) | HCRTR1HCRTR2CYP3A4ATRATM | |
| SCHEMBL7877414 | 0.72 | ACVR2A (0.38) | HCRTR1HCRTR2HCAR2KMOATR | |
| SCHEMBL31589937 | 0.71 | KDM4E (0.48) | DHODHHCAR2PIM2PIM1CYP3A4 | |
| SCHEMBL2310940 | 0.70 | DHODH (0.47) | HCRTR1HCRTR2DHODHHCAR2PIM2 |
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-2010141275-A1 | PYRAZINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2010-12-09 | — | — | WO | disclosed |