Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.41 |
| ▸ | CA2 | P00918 | 4/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | NCEH1 | Q6PIU2 | 2/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.35 |
| ▸ | PLG | P00747 | 1/20 | 0.35 |
| ▸ | PLAU | P00749 | 1/20 | 0.35 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.35 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.34 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.33 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.33 |
| ▸ | XDH | P47989 | 1/20 | 0.33 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.33 |
| ▸ | FBP1 | P09467 | 1/20 | 0.33 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL8712457 | 0.86 | CYP2A6 (0.41) | CA1CA2CYP2A6NCEH1F2 | |
| SCHEMBL7389712 | 0.79 | NCEH1 (0.41) | CA1CA2CYP2A6NCEH1F2 | |
| SCHEMBL8713685 | 0.77 | SMN1; SMN2 (0.40) | NCEH1ALDH1A1MAPT | |
| SCHEMBL7673409 | 0.72 | CA1 (0.45) | CA1CA2CYP2A6NCEH1F2 | |
| SCHEMBL28292343 | 0.71 | CYP2A6 (0.46) | CA1CA2CYP2A6NCEH1SLC6A4 | |
| SCHEMBL2093471 | 0.71 | CYP2A6 (0.42) | CA1CA2CYP2A6NCEH1F2 | |
| SCHEMBL28741075 | 0.71 | CA1 (0.44) | CA1CA2CYP2A6NCEH1F2 | |
| SCHEMBL3383913 | 0.71 | KDM4E (0.35) | CYP2A6MEN1ALDH1A1KMT2A | |
| SCHEMBL7671173 | 0.70 | CA1 (0.54) | CA1CA2NCEH1F2PLG | |
| SCHEMBL5566845 | 0.68 | PLAU (0.49) | CA1CA2F2PLGPLAU |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5753670-A | ANTICOAGULANTS | THE GREEN CROSS CORPORATION (JP) | 1998-05-19 | — | — | US | disclosed |
| US-5635527-A | ANTAGONIST OF PLATELET MEMBRANE GLYCOPROTEIN; TREATMENT OF THROMBOTIC DISEASES | THE GREEN CROSS CORPORATION (JP) | 1997-06-03 | — | — | US | disclosed |
| EP-0712844-A1 | NOVEL FUSED-RING CARBOXYLIC ACID COMPOUND OR SALT THEREOF, AND MEDICINAL USE THEREOF | THE GREEN CROSS CORPORATION (JP) | 1996-05-22 | — | — | EP | disclosed |