Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLK5 | Q9Y337 | 3/20 | 0.68 |
| ▸ | PSEN1 | P49768 | 3/20 | 0.52 |
| ▸ | PSEN2 | P49810 | 3/20 | 0.52 |
| ▸ | APH1B | Q8WW43 | 3/20 | 0.52 |
| ▸ | NCSTN | Q92542 | 3/20 | 0.52 |
| ▸ | APH1A | Q96BI3 | 3/20 | 0.52 |
| ▸ | PSENEN | Q9NZ42 | 3/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | REN | P00797 | 4/20 | 0.52 |
| ▸ | APP | P05067 | 1/20 | 0.52 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL10606303 | 1.00 | KLK5 (0.68) | KLK5PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL6876159 | 1.00 | KLK5 (0.68) | KLK5PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL9482833 | 0.89 | KLK5 (0.72) | KLK5PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL9833378 | 0.89 | KLK5 (0.72) | KLK5PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL7435516 | 0.89 | KLK5 (0.60) | KLK5PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL7638374 | 0.89 | KLK5 (0.60) | KLK5PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL3046202 | 0.87 | KLK5 (0.63) | KLK5PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL6873021 | 0.87 | KLK5 (0.71) | KLK5PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL8787243 | 0.87 | KLK5 (0.71) | KLK5PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL9815894 | 0.87 | KLK5 (0.71) | KLK5PSEN1PSEN2APH1BNCSTN |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1432678-A1 | HIV PROTEASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-06-30 | — | — | EP | disclosed |
| US-6632826-B1 | Carbocyclic HIV protease inhibitors | HOFFMANN-LA ROCHE INC. | 2003-10-14 | — | — | US | disclosed |
| WO-2003029206-A1 | PREPARATION OF HIV PROTEASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2003-04-10 | — | — | WO | disclosed |
| EP-0258289-A4 | PEPTIDE ANALOGS | — | 1991-01-02 | — | — | EP | disclosed |
| EP-0258289-A1 | PEPTIDE ANALOGS | ABBOTT LABORATORIES (US) | 1988-03-09 | — | — | EP | disclosed |
| WO-1987004349-A1 | PEPTIDE ANALOGS | DELLARIA JOSEPH | 1987-07-30 | — | — | WO | disclosed |
| EP-0184855-A2 | Resin inhibiting compounds | ABBOTT LABORATORIES (US) | 1986-06-18 | — | — | EP | disclosed |