Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.40 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14462577 | 0.85 | ENPP2 (0.42) | EPHX2NR1H4ENPP2CA2PTGS2 | |
| SCHEMBL6172760 | 0.83 | CA2 (0.40) | EPHX2NR1H4ENPP2CA2ESR1 | |
| SCHEMBL2600037 | 0.79 | ESR1 (0.50) | EPHX2NR1H4ENPP2CA2ESR1 | |
| SCHEMBL9330029 | 0.77 | ESR1 (0.44) | ESR1ESR2 | |
| SCHEMBL8133933 | 0.76 | ENPP2 (0.48) | EPHX2NR1H4ENPP2CA2PTGS2 | |
| SCHEMBL28303457 | 0.76 | ENPP2 (0.43) | EPHX2NR1H4ENPP2CA2PTGS2 | |
| SCHEMBL8081741 | 0.75 | ENPP2 (0.44) | EPHX2NR1H4ENPP2CA2PTGS2 | |
| SCHEMBL8077236 | 0.75 | ENPP2 (0.44) | EPHX2NR1H4ENPP2CA2PTGS2 | |
| SCHEMBL18387786 | 0.75 | ESR1 (0.43) | ESR1ESR2 | |
| SCHEMBL19593059 | 0.74 | ESR1 (0.43) | EPHX2NR1H4ENPP2ESR1ESR2 |
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-9550742-B2 | 11-OXO-10,11-dihydrodibenzo[B,F][1,4]thiazepine S-oxide derivatives and their use as dopamine D2 receptor antagonists | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2017-01-24 | — | — | US | disclosed |