Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 6/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | TDO2 | P48775 | 1/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.38 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.35 |
| ▸ | ABHD16A | O95870 | 1/20 | 0.34 |
| ▸ | DHODH | Q02127 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | DDX3X | O00571 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2685481 | 0.81 | PTGS2 (0.49) | PTGS2IDO1TDO2GABRA5SLC5A1 | |
| SCHEMBL9730089 | 0.74 | ALDH1A1 (0.43) | PTGS2IDO1TDO2GABRA5PPARA | |
| SCHEMBL9730918 | 0.74 | PTGS2 (0.39) | PTGS2IDO1TDO2GABRA5PPARA | |
| SCHEMBL15331486 | 0.72 | PPARA (0.42) | PPARANPC1LMNAMAPTSMN1; SMN2 | |
| SCHEMBL9730862 | 0.71 | HMGCR (0.53) | PTGS2 | |
| SCHEMBL9730865 | 0.71 | HMGCR (0.53) | PTGS2 | |
| SCHEMBL13754460 | 0.71 | PTGS2 (0.56) | PTGS2IDO1TDO2SMN1; SMN2DCTPP1 | |
| SCHEMBL3809390 | 0.69 | PPARA (0.42) | PTGS2PPARALMNASMN1; SMN2 | |
| SCHEMBL9441669 | 0.68 | ALDH1A1 (0.41) | PPARATSHR | |
| Hydrochloric Acid SCHEMBL9730988 | 0.67 | IDO1 (0.38) | PTGS2IDO1TDO2PPARASLC5A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5081136-A | 1,2,3-TRIAZOLE COMPOUNDS ACTIVE AS INHIBITORS OF THE ENZYME HMG-COA REDUCTASE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | ZAMBON GROUP S.P.A. (IT) | 1992-01-14 | — | — | US | disclosed |
| EP-0433842-A2 | 1,2,3-Triazole derivatives active as inhibitors of the enzyme HMG-COA reductase and pharmaceutical compositions containing them | ZAMBON GROUP S.p.A. (IT) | 1991-06-26 | — | — | EP | disclosed |