Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLK5 | Q9Y337 | 3/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.39 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.39 |
| ▸ | ACE | P12821 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | PSEN1 | P49768 | 3/20 | 0.37 |
| ▸ | PSEN2 | P49810 | 3/20 | 0.37 |
| ▸ | APH1B | Q8WW43 | 3/20 | 0.37 |
| ▸ | NCSTN | Q92542 | 3/20 | 0.37 |
| ▸ | APH1A | Q96BI3 | 3/20 | 0.37 |
| ▸ | PSENEN | Q9NZ42 | 3/20 | 0.37 |
| ▸ | PSMB11 | A5LHX3 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7627308 | 1.00 | KLK5 (0.42) | KLK5ABCB1NPC1CYP1A2CYP2C9 | |
| SCHEMBL8458765 | 0.91 | ITGA4 (0.48) | KLK5TSHRITGA4ITGB7ACE | |
| SCHEMBL8853318 | 0.91 | ITGA4 (0.48) | KLK5TSHRITGA4ITGB7ACE | |
| SCHEMBL8892786 | 0.89 | KLK5 (0.44) | KLK5TSHRACEALDH1A1PSEN1 | |
| SCHEMBL7627153 | 0.89 | KLK5 (0.44) | KLK5TSHRACEALDH1A1PSEN1 | |
| SCHEMBL7627160 | 0.89 | KLK5 (0.44) | KLK5TSHRACEALDH1A1PSEN1 | |
| SCHEMBL8892779 | 0.89 | KLK5 (0.44) | KLK5TSHRACEALDH1A1PSEN1 | |
| SCHEMBL7676644 | 0.88 | KLK5 (0.44) | KLK5ACEPSEN1PSEN2APH1B | |
| SCHEMBL7676642 | 0.88 | KLK5 (0.44) | KLK5ACEPSEN1PSEN2APH1B | |
| SCHEMBL7629875 | 0.88 | KLK5 (0.41) | KLK5TSHRITGA4ITGB7ACE |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0708085-B1 | Antiviral ethers of aspartate protease substrate isosteres | NOVARTIS AG (CH) | 2002-07-17 | — | — | EP | disclosed |
| US-5935976-A | Antiviral ethers of aspartate protease substrate isosteres | NOVARTIS CORPORATION (US) | 1999-08-10 | — | — | US | disclosed |
| US-5807891-A | RETROVIRUSES | NOVARTIS AG (CH) | 1998-09-15 | — | — | US | disclosed |
| US-5663200-A | CARBAMOYL PEPTIDE DERIVATIVES AS VIRICIDES | CIBA-GEIGY CORPORATION (US) | 1997-09-02 | — | — | US | disclosed |
| EP-0708085-A2 | Antiviral ethers of aspartate protease substrate isosteres | CIBA-GEIGY AG (CH) | 1996-04-24 | — | — | EP | disclosed |