Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.43 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.43 |
| ▸ | TYR | P14679 | 1/20 | 0.41 |
| ▸ | ECE1 | P42892 | 2/20 | 0.40 |
| ▸ | MME | P08473 | 2/20 | 0.40 |
| ▸ | ADAMTS4 | O75173 | 2/20 | 0.39 |
| ▸ | ELANE | P08246 | 2/20 | 0.38 |
| ▸ | CTSL | P07711 | 1/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | PDE5A | O76074 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
| ▸ | CASP9 | P55211 | 1/20 | 0.37 |
| ▸ | CASP6 | P55212 | 1/20 | 0.37 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | MMP13 | P45452 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7298298 | 0.81 | ADAMTS4 (0.55) | CYSLTR2CYSLTR1ADAMTS4CASP1CASP3 | |
| SCHEMBL7307096 | 0.81 | ADAMTS4 (0.55) | CYSLTR2CYSLTR1ADAMTS4CASP1CASP3 | |
| SCHEMBL7295829 | 0.81 | CYP3A4 (0.43) | ECE1MMEELANECTSBCTSS | |
| SCHEMBL7303071 | 0.79 | TYR (0.46) | TYRECE1MMEADAMTS4ELANE | |
| SCHEMBL7298552 | 0.79 | TYR (0.46) | TYRECE1MMEADAMTS4ELANE | |
| SCHEMBL6150075 | 0.76 | ECE1 (0.48) | TYRECE1MMECTSLCTSB | |
| SCHEMBL23763763 | 0.74 | HDAC1 (0.42) | — | |
| SCHEMBL3033874 | 0.72 | NPC1 (0.59) | TYRECE1MMEADAMTS4ELANE | |
| SCHEMBL4675990 | 0.72 | NPC1 (0.59) | TYRECE1MMEADAMTS4ELANE | |
| SCHEMBL7306884 | 0.72 | CYP1A2 (0.48) | CYSLTR2CYSLTR1ADAMTS4CASP1CASP3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0575097-B1 | 2,3-Bis-carboxamidomethyl substituted oxiranes as inhibitors of HIV protease and their use for the treatment of AIDS | LILLY CO ELI (US) | 2000-11-02 | — | — | EP | disclosed |
| US-5578608-A | HIV PROTEASE INHIBITOR | ELI LILLY AND COMPANY (US) | 1996-11-26 | — | — | US | disclosed |
| EP-0575097-A1 | 2,3-Bis-carboxamidomethyl substituted oxiranes as inhibitors of HIV protease and their use for the treatment of AIDS | ELI LILLY AND COMPANY (US) | 1993-12-22 | — | — | EP | disclosed |