Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H3 | Q13133 | 2/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.33 |
| ▸ | PMM2 | O15305 | 1/20 | 0.32 |
| ▸ | MPI | P34949 | 1/20 | 0.32 |
| ▸ | PHOSPHO1 | Q8TCT1 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | G6PD | P11413 | 1/20 | 0.30 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.30 |
| ▸ | KAT2B | Q92831 | 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 | |
|---|---|---|---|---|
| SCHEMBL9263852 | 0.72 | PHOSPHO1 (0.47) | PMM2MPIPHOSPHO1G6PDKAT2B | |
| SCHEMBL176126 | 0.72 | NR1H3 (0.45) | NR1H3NR1H2PTGS2 | |
| SCHEMBL9256001 | 0.71 | KDM4E (0.40) | KAT2B | |
| SCHEMBL9262493 | 0.69 | MAPT (0.46) | PMM2MPIPHOSPHO1 | |
| SCHEMBL9258084 | 0.66 | ALDH1A1 (0.43) | G6PDTLR9KAT2B | |
| SCHEMBL9256085 | 0.64 | PMM2 (0.45) | PMM2MPIPHOSPHO1KAT2B | |
| SCHEMBL9263510 | 0.64 | SMN1; SMN2 (0.60) | MPIPHOSPHO1KAT2B | |
| SCHEMBL8818175 | 0.63 | CA2 (0.40) | NR1H3NR1H2PTGS2 | |
| SCHEMBL9265563 | 0.60 | KDM4E (0.40) | — | |
| SCHEMBL8080054 | 0.59 | HSD17B10 (0.41) | G6PD |
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-5411977-A | Substituted 2,5-diaryl-4-isothiazolin-3-ones as antiinflammatory and antithrombotic agents | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-05-02 | — | — | US | disclosed |