Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.34 |
| ▸ | DPP4 | P27487 | 2/20 | 0.34 |
| ▸ | SHBG | P04278 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 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 | |
|---|---|---|---|---|
| SCHEMBL12960398 | 1.00 | GABRA1 (0.34) | GABRA1GABRB2DPP4SHBGNOS3 | |
| SCHEMBL12960417 | 0.88 | DPP4 (0.42) | GABRA1GABRB2DPP4 | |
| SCHEMBL22863402 | 0.80 | GABRA1 (0.34) | GABRA1GABRB2DPP4 | |
| SCHEMBL20223452 | 0.80 | DPP4 (0.47) | GABRA1GABRB2DPP4 | |
| SCHEMBL698565 | 0.76 | SHBG (0.38) | DPP4SHBG | |
| SCHEMBL22817443 | 0.76 | SHBG (0.42) | SHBG | |
| SCHEMBL14989586 | 0.76 | SHBG (0.38) | DPP4SHBG | |
| SCHEMBL24327639 | 0.76 | DPP4 (0.39) | GABRA1GABRB2DPP4NOS3NOS1 | |
| SCHEMBL22380039 | 0.76 | GABRA1 (0.35) | GABRA1GABRB2SHBG | |
| SCHEMBL24012489 | 0.76 | GABRA1 (0.35) | GABRA1GABRB2DPP4SHBG |
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 |
|---|---|---|---|---|---|---|---|
| US-9181253-B2 | Adenosine receptor agonists, partial agonists, and antagonists | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2015-11-10 | — | — | US | disclosed |