Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.43 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.43 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | FBP1 | P09467 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | LTB4R | Q15722 | 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 | |
|---|---|---|---|---|
| SCHEMBL8000066 | 0.98 | RELA (0.46) | RELANPC1CASP3SENP8SENP7 | |
| SCHEMBL7998452 | 0.95 | RELA (0.49) | RELANPC1CASP3SENP8SENP7 | |
| SCHEMBL7989611 | 0.89 | RELA (0.51) | RELANPC1CASP3SENP8SENP7 | |
| SCHEMBL13845988 | 0.83 | APP (0.49) | MEN1KMT2ACYP1A2HPGDCYP2C19 | |
| SCHEMBL7998443 | 0.82 | RELA (0.43) | RELANPC1CASP3SENP8SENP7 | |
| SCHEMBL7998446 | 0.82 | RELA (0.43) | RELANPC1CASP3SENP8SENP7 | |
| SCHEMBL12680909 | 0.82 | RELA (0.40) | RELANPC1CASP3SENP8SENP7 | |
| SCHEMBL13846023 | 0.82 | APP (0.48) | MEN1KMT2ACYP1A2HPGDCYP2C19 | |
| SCHEMBL106151 | 0.80 | PTGS1 (0.46) | RELANPC1CASP3SENP8SENP7 | |
| SCHEMBL27851001 | 0.80 | PTGS1 (0.46) | RELANPC1CASP3SENP8SENP7 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009117594-A1 | FLUORINATED MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS | ENANTA PHARMACEUTICALS, INC. (US) | 2009-09-24 | — | — | WO | disclosed |
| WO-2009079353-A1 | TRIAZOLE-CONTAINING MACROCYCLIC HCV SERINE PROTEASE INHIBITORS | ENANTA PHARMACEUTICALS, INC. (US) | 2009-06-25 | — | — | WO | disclosed |