Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 9/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ANPEP | P15144 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 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 | |
|---|---|---|---|---|
| SCHEMBL7298579 | 0.73 | HTR2A (0.59) | HTR2AHTR2CHTR2B | |
| Hydrochloric Acid SCHEMBL7299669 | 0.72 | HTR2A (0.57) | MAOAHTR2AHTR2CHTR2B | |
| SCHEMBL11863917 | 0.71 | KIF11 (0.58) | BACE1CYP3A4CYP2C9CYP2C19ANPEP | |
| SCHEMBL11863901 | 0.71 | KIF11 (0.58) | BACE1CYP3A4CYP2C9CYP2C19ANPEP | |
| Ammonia Solution, Strong SCHEMBL7243545 | 0.70 | CYP3A4 (0.49) | BACE1CYP3A4CYP2C9CYP2C19ANPEP | |
| SCHEMBL7306558 | 0.69 | CYP3A4 (0.45) | BACE1CYP3A4CYP2C9CYP2C19ANPEP | |
| SCHEMBL9770073 | 0.68 | BACE1 (0.56) | BACE1CYP3A4CYP2C9CYP2C19ANPEP | |
| SCHEMBL29738643 | 0.68 | BACE1 (0.56) | BACE1CYP3A4CYP2C9CYP2C19ANPEP | |
| SCHEMBL28251159 | 0.68 | ANPEP (0.53) | BACE1CYP3A4ANPEP | |
| SCHEMBL20495593 | 0.68 | CYP3A4 (0.50) | BACE1CYP3A4CYP2C9CYP2C19ANPEP |
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 |