Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 2/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | HRH1 | P35367 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.44 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2088563 | 0.90 | CYP2A6 (0.54) | CHRNA7CYP2A6L3MBTL1TDP1HRH1 | |
| SCHEMBL4812510 | 0.87 | CHRNA7 (0.53) | CHRNA7CYP2A6L3MBTL1TDP1HRH1 | |
| SCHEMBL30935631 | 0.82 | CHRNA7 (0.52) | CHRNA7CYP2A6L3MBTL1TDP1HRH1 | |
| SCHEMBL22161582 | 0.82 | L3MBTL1 (0.61) | CHRNA7CYP2A6L3MBTL1TDP1HRH1 | |
| SCHEMBL13798116 | 0.81 | TDP1 (0.54) | CHRNA7CYP2A6L3MBTL1TDP1HRH1 | |
| SCHEMBL56200 | 0.81 | — | — | |
| SCHEMBL24925632 | 0.80 | TDP1 (0.58) | CHRNA7CYP2A6L3MBTL1TDP1HRH1 | |
| SCHEMBL273378 | 0.79 | CHRNA7 (0.57) | CHRNA7CYP2A6L3MBTL1TDP1HRH1 | |
| SCHEMBL7326755 | 0.79 | CYP2A6 (0.50) | CHRNA7CYP2A6L3MBTL1TDP1HRH1 | |
| SCHEMBL27581879 | 0.77 | CYP2A6 (0.56) | CHRNA7CYP2A6L3MBTL1TDP1HRH1 |
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-1991019707-A2 | ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES | THE UPJOHN COMPANY (US) | 1991-12-26 | — | — | WO | disclosed |