Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 2/20 | 0.47 |
| ▸ | CTSB | P07858 | 2/20 | 0.47 |
| ▸ | CTSS | P25774 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CTSD | P07339 | 2/20 | 0.45 |
| ▸ | CASP3 | P42574 | 10/20 | 0.43 |
| ▸ | CASP7 | P55210 | 6/20 | 0.42 |
| ▸ | CASP1 | P29466 | 2/20 | 0.42 |
| ▸ | CASP9 | P55211 | 2/20 | 0.42 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.41 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7299914 | 0.92 | CASP3 (0.49) | CTSDCASP3CASP7CASP1CASP9 | |
| SCHEMBL7297072 | 0.89 | CTSD (0.48) | CTSLCTSBCTSSCTSDCASP3 | |
| SCHEMBL7299517 | 0.84 | CYP3A4 (0.45) | CTSDCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7299398 | 0.81 | CTSL (0.48) | CTSLCTSBCTSSMEN1KMT2A | |
| SCHEMBL7304085 | 0.81 | CTSL (0.48) | CTSLCTSBCTSSMEN1KMT2A | |
| SCHEMBL7295829 | 0.80 | CYP3A4 (0.43) | CTSBCTSSCTSDCASP3CASP7 | |
| SCHEMBL7308154 | 0.79 | CYP3A4 (0.46) | CTSBCTSSCTSDCASP3CASP7 | |
| SCHEMBL8657097 | 0.79 | CTSB (0.55) | CTSLCTSBCTSSMEN1KMT2A | |
| SCHEMBL7306108 | 0.77 | CTSD (0.55) | CTSLCTSBCTSSCTSDCASP3 | |
| SCHEMBL9233070 | 0.77 | CTSD (0.58) | CTSDCASP3CASP7CASP1CASP9 |
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 4 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-0652009-A1 | Identification and use of protease inhibitors | ELI LILLY AND COMPANY (US) | 1995-05-10 | — | — | EP | 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 |