Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | FAAH | O00519 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | SRC | P12931 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | GRM7 | Q14831 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13594127 | 1.00 | PTGS2 (0.48) | PTGS2POLBHSP90AA1MAPTGPR55 | |
| SCHEMBL12666540 | 1.00 | PTGS2 (0.48) | PTGS2POLBHSP90AA1MAPTGPR55 | |
| SCHEMBL17854675 | 0.85 | PTGS2 (0.50) | PTGS2MAPTCYP3A4HIF1AHSD17B10 | |
| SCHEMBL15562488 | 0.82 | PTGS2 (0.44) | PTGS2HIF1AFAAHCYP2D6LMNA | |
| SCHEMBL13143567 | 0.81 | MAPT (0.71) | PTGS2MAPTCYP3A4HIF1ACYP2D6 | |
| SCHEMBL16744262 | 0.81 | MAPT (0.71) | PTGS2MAPTCYP3A4HIF1ACYP2D6 | |
| SCHEMBL12895717 | 0.81 | ALOX5 (0.43) | PTGS2POLBMAPTLMNAALDH1A1 | |
| SCHEMBL1033377 | 0.81 | PTGS2 (0.47) | PTGS2POLBMAPTFAAHCYP2D6 | |
| SCHEMBL3347948 | 0.80 | CYP1A2 (0.46) | PTGS2POLBHIF1AFAAHCYP2D6 | |
| SCHEMBL10900019 | 0.80 | PTGS2 (0.43) | PTGS2POLBMAPTCYP3A4HIF1A |
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-8383094-B2 | inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV); useful in establishing or determining the binding site of other antiviral compounds, for example, by competitive inhibition; used to treat or prevent viral contamination of materials | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-02-26 | — | — | US | disclosed |