Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CAPN2 | P17655 | 5/20 | 0.34 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 2/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.32 |
| ▸ | MLLT3 | P42568 | 1/20 | 0.31 |
| ▸ | MLLT1 | Q03111 | 1/20 | 0.31 |
| ▸ | TACR2 | P21452 | 1/20 | 0.31 |
| ▸ | TACR1 | P25103 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13684945 | 1.00 | CYP3A4 (0.35) | CYP3A4ALDH1A1TSHRCAPN2CASP3 | |
| SCHEMBL8290521 | 1.00 | CYP3A4 (0.35) | CYP3A4ALDH1A1TSHRCAPN2CASP3 | |
| SCHEMBL13684966 | 0.91 | CYP3A4 (0.36) | CYP3A4ALDH1A1TSHRCAPN2CASP3 | |
| SCHEMBL13685116 | 0.91 | CYP3A4 (0.36) | CYP3A4ALDH1A1TSHRCAPN2CASP3 | |
| SCHEMBL13685079 | 0.91 | CYP3A4 (0.36) | CYP3A4ALDH1A1TSHRCAPN2CASP3 | |
| SCHEMBL12606616 | 0.89 | BACE1 (0.40) | BACE1 | |
| SCHEMBL13685190 | 0.89 | BACE1 (0.40) | BACE1 | |
| SCHEMBL8291409 | 0.89 | BACE1 (0.40) | BACE1 | |
| SCHEMBL8290318 | 0.88 | LNPEP (0.32) | BACE1 | |
| SCHEMBL8291162 | 0.84 | CAPN2 (0.40) | CAPN2CASP3MLLT3MLLT1TACR2 |
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 |