Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | ELANE | P08246 | 5/20 | 0.45 |
| ▸ | REN | P00797 | 2/20 | 0.42 |
| ▸ | MME | P08473 | 1/20 | 0.41 |
| ▸ | ACE | P12821 | 1/20 | 0.41 |
| ▸ | CPA1 | P15085 | 1/20 | 0.41 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CTSD | P07339 | 5/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.36 |
| ▸ | MC4R | P32245 | 1/20 | 0.35 |
| ▸ | MC3R | P41968 | 1/20 | 0.35 |
| ▸ | MC1R | Q01726 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7307100 | 0.90 | CA2 (0.61) | CA2RENCYP3A4PSMB5TSHR | |
| SCHEMBL7305277 | 0.89 | CA2 (0.44) | CA2ELANERENMMEACE | |
| SCHEMBL7299517 | 0.81 | CYP3A4 (0.45) | CA2ELANECYP3A4CTSD | |
| SCHEMBL7308111 | 0.79 | CA2 (0.55) | CA2RENCYP3A4PSMB5TSHR | |
| SCHEMBL7297565 | 0.76 | CA2 (0.39) | CA2CYP3A4 | |
| SCHEMBL7306035 | 0.75 | CA2 (0.60) | CA2CYP3A4TSHR | |
| SCHEMBL7340523 | 0.75 | CA2 (0.85) | CA2RENCYP3A4CTSDTSHR | |
| SCHEMBL7333171 | 0.75 | CA2 (0.85) | CA2RENCYP3A4CTSDTSHR | |
| SCHEMBL7341313 | 0.75 | CA2 (0.85) | CA2RENCYP3A4CTSDTSHR | |
| SCHEMBL7302427 | 0.74 | CA2 (0.60) | CA2TSHR |
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 |