Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 2/20 | 0.35 |
| ▸ | ELANE | P08246 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | REN | P00797 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.33 |
| ▸ | TERF2 | Q15554 | 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 | |
|---|---|---|---|---|
| SCHEMBL12856044 | 0.89 | CYP3A4 (0.36) | ELANECYP3A4ALDH1A1TSHROPRK1 | |
| SCHEMBL13685696 | 0.87 | ELANE (0.37) | BACE1ELANERENTERF2 | |
| SCHEMBL13685619 | 0.86 | TERF2 (0.40) | BACE1ELANETERF2 | |
| SCHEMBL16349612 | 0.84 | CASP3 (0.41) | CASP3BACE1CYP3A4ALDH1A1TSHR | |
| SCHEMBL13685703 | 0.84 | CASP3 (0.40) | CASP3BACE1CYP3A4ALDH1A1TSHR | |
| SCHEMBL13685011 | 0.81 | BACE1 (0.36) | BACE1ELANERENTERF2 | |
| SCHEMBL13685129 | 0.81 | BACE1 (0.36) | BACE1ELANERENTERF2 | |
| SCHEMBL13686171 | 0.81 | BACE1 (0.36) | BACE1ELANERENTERF2 | |
| SCHEMBL13685117 | 0.80 | BACE1 (0.35) | BACE1ELANECYP3A4ALDH1A1REN | |
| SCHEMBL8291188 | 0.80 | BACE1 (0.35) | BACE1ELANECYP3A4ALDH1A1REN |
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-7592419-B2 | Macrocyclic inhibitors of hepatitis C virus NS3-serine protease | SCHERING CORPORATION (US) | 2009-09-22 | — | — | US | disclosed |
| WO-2005030796-A1 | MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE | SCHERING CORPORATION (US) | 2005-04-07 | — | — | WO | disclosed |