Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 8/20 | 0.34 |
| ▸ | ANPEP | P15144 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | CASP3 | P42574 | 1/20 | 0.31 |
| ▸ | CASP7 | P55210 | 1/20 | 0.31 |
| ▸ | CASP6 | P55212 | 1/20 | 0.31 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.31 |
| ▸ | G6PD | P11413 | 1/20 | 0.31 |
| ▸ | CCR6 | P51684 | 1/20 | 0.31 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.31 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7306681 | 0.81 | HTR2A (0.41) | — | |
| SCHEMBL7306558 | 0.77 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP2C19BACE1ANPEP | |
| SCHEMBL7309489 | 0.71 | ANPEP (0.35) | CYP3A4ANPEP | |
| SCHEMBL9364522 | 0.64 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL7305088 | 0.64 | BACE1 (0.49) | CYP3A4CYP2C9CYP2C19BACE1ANPEP | |
| Ammonia Solution, Strong SCHEMBL7243545 | 0.64 | CYP3A4 (0.49) | CYP3A4CYP2C9CYP2C19CNR2BACE1 | |
| SCHEMBL5950493 | 0.63 | ANPEP (0.41) | CYP3A4CYP2C9CYP2C19CNR2ANPEP | |
| SCHEMBL20495593 | 0.61 | CYP3A4 (0.50) | CYP3A4CYP2C9CYP2C19CNR2BACE1 | |
| SCHEMBL7305610 | 0.61 | HTR2A (0.47) | — | |
| SCHEMBL20088011 | 0.60 | BACE1 (0.58) | CYP3A4CYP2C9CYP2C19CNR2BACE1 |
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 |