Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RELA | Q04206 | 2/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | FBP1 | P09467 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.36 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.36 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 3/20 | 0.35 |
| ▸ | MAOB | P27338 | 3/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL8002329 | 1.00 | RELA (0.43) | RELAPTGS1PTGS2ALOX5FBP1 | |
| SCHEMBL8002907 | 0.96 | RELA (0.44) | RELAPTGS1PTGS2ALOX5FBP1 | |
| SCHEMBL7999316 | 0.96 | RELA (0.44) | RELAPTGS1PTGS2ALOX5FBP1 | |
| SCHEMBL8005113 | 0.96 | RELA (0.44) | RELAPTGS1PTGS2ALOX5FBP1 | |
| SCHEMBL7998778 | 0.90 | RELA (0.46) | RELAPTGS1PTGS2ALOX5FBP1 | |
| SCHEMBL14693063 | 0.85 | HDAC8 (0.37) | TP53TDP1ALDH1A1KDM4EMAPT | |
| SCHEMBL7998445 | 0.81 | RELA (0.49) | RELAPTGS1PTGS2ALOX5FBP1 | |
| SCHEMBL7998765 | 0.81 | RELA (0.49) | RELAPTGS1PTGS2ALOX5FBP1 | |
| SCHEMBL14693062 | 0.81 | HDAC4 (0.38) | TP53TDP1ALDH1A1PPARGKDM4E | |
| SCHEMBL7998446 | 0.81 | RELA (0.43) | RELAPTGS1PTGS2ALOX5FBP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009117594-A1 | FLUORINATED MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS | ENANTA PHARMACEUTICALS, INC. (US) | 2009-09-24 | — | — | WO | disclosed |