Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 3/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.31 |
| ▸ | PRKDC | P78527 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | ATR | Q13535 | 1/20 | 0.31 |
| ▸ | ATRIP | Q8WXE1 | 1/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.31 |
| ▸ | CTPS1 | P17812 | 1/20 | 0.31 |
| ▸ | CHRNB1 | P11230 | 2/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.31 |
| ▸ | CHRNB3 | Q05901 | 2/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.31 |
| ▸ | GCK | P35557 | 1/20 | 0.31 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.30 |
| ▸ | PDE10A | Q9Y233 | 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 | |
|---|---|---|---|---|
| SCHEMBL12044408 | 0.78 | CYP2A6 (0.38) | CYP11B2CYP2A6PIK3CBPRKDCATM | |
| SCHEMBL2276825 | 0.75 | ATM (0.44) | CYP11B2ATM | |
| SCHEMBL12024920 | 0.74 | CYP11B2 (0.41) | CYP11B2PDE10A | |
| SCHEMBL2278188 | 0.72 | CYP11B2 (0.40) | CYP11B2CYP2A6CTPS1LRRK2PDE10A | |
| SCHEMBL10133638 | 0.69 | CYP11B2 (0.35) | CYP11B2CYP2A6PIK3CBPRKDCATM | |
| SCHEMBL438348 | 0.67 | ATM (0.41) | CYP11B2ATMATRCYP11B1PDE10A | |
| SCHEMBL7877414 | 0.67 | ACVR2A (0.38) | CYP11B2PIK3CBPRKDCATMATR | |
| SCHEMBL23959742 | 0.65 | CYP11B2 (0.40) | CYP11B2CYP2A6 | |
| SCHEMBL20345770 | 0.65 | CYP17A1 (0.33) | CYP11B2 | |
| SCHEMBL27680007 | 0.63 | FDPS (0.43) | PDE10A |
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-2009020642-A1 | PYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2009-02-12 | — | — | WO | disclosed |