Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 10/20 | 0.55 |
| ▸ | HCRTR2 | O43614 | 10/20 | 0.55 |
| ▸ | NOTUM | Q6P988 | 5/20 | 0.40 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | HTR3A | P46098 | 1/20 | 0.35 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.34 |
| ▸ | MYC | P01106 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL18588653 | 0.98 | HCRTR1 (0.56) | HCRTR1HCRTR2NOTUMPTGDR2CYP1A2 | |
| SCHEMBL12475748 | 0.97 | HCRTR1 (0.55) | HCRTR1HCRTR2NOTUMPTGDR2CYP1A2 | |
| SCHEMBL3687324 | 0.85 | HCRTR1 (0.55) | HCRTR1HCRTR2NOTUMPTGDR2CYP1A2 | |
| SCHEMBL12475749 | 0.84 | HCRTR1 (0.54) | HCRTR1HCRTR2NOTUMPTGDR2CYP1A2 | |
| SCHEMBL262384 | 0.78 | HCRTR2 (0.45) | HCRTR1HCRTR2 | |
| SCHEMBL31175345 | 0.78 | HCRTR2 (0.45) | HCRTR1HCRTR2 | |
| SCHEMBL2497920 | 0.77 | RAB9A (0.49) | HCRTR1HCRTR2CYP2C9CYP2C19 | |
| SCHEMBL15984728 | 0.76 | NOTUM (0.47) | HCRTR1HCRTR2NOTUMCYP1A2CYP2C9 | |
| SCHEMBL20774394 | 0.76 | HCRTR1 (0.44) | HCRTR1HCRTR2NOTUMPTGDR2CYP2C9 | |
| SCHEMBL1586336 | 0.75 | HCRTR1 (0.55) | HCRTR1HCRTR2 |
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-2012089606-A1 | AZABICYCLO [4.1.0] HEPT - 4 - YL DERIVATIVES AS HUMAN OREXIN RECEPTOR ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2012-07-05 | — | — | WO | disclosed |