Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLK5 | Q9Y337 | 3/20 | 0.52 |
| ▸ | PSEN1 | P49768 | 4/20 | 0.46 |
| ▸ | PSEN2 | P49810 | 4/20 | 0.46 |
| ▸ | APH1B | Q8WW43 | 4/20 | 0.46 |
| ▸ | NCSTN | Q92542 | 4/20 | 0.46 |
| ▸ | APH1A | Q96BI3 | 4/20 | 0.46 |
| ▸ | PSENEN | Q9NZ42 | 4/20 | 0.46 |
| ▸ | APP | P05067 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | MLNR | O43193 | 1/20 | 0.43 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CTSD | P07339 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL15129306 | 0.89 | KLK5 (0.49) | KLK5PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL2959941 | 0.87 | BCHE (0.44) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL8900553 | 0.85 | CYP3A4 (0.44) | KLK5PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL5217566 | 0.81 | KLK5 (0.62) | KLK5PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL5217575 | 0.81 | KLK5 (0.62) | KLK5PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL5223349 | 0.81 | KLK5 (0.62) | KLK5PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL5223341 | 0.81 | KLK5 (0.62) | KLK5PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL6396047 | 0.79 | MMP1 (0.48) | CTSD | |
| SCHEMBL5174729 | 0.78 | SPPL2A (0.49) | CA1CTSD | |
| SCHEMBL5387766 | 0.78 | KLK5 (0.59) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080118969-A1 | BIS-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS | G.D. SEARLE LLC (US) | 2008-05-22 | — | — | US | disclosed |