Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | REN | P00797 | 8/20 | 0.41 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.38 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.38 |
| ▸ | PSMB2 | P49721 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7307958 | 0.90 | CA2 (0.50) | CA2CYP3A4TSHRRENPSMB5 | |
| SCHEMBL7308111 | 0.88 | CA2 (0.55) | CA2CYP3A4CYP1A2CYP2D6MAPT | |
| SCHEMBL7299517 | 0.85 | CYP3A4 (0.45) | CA2CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL7306035 | 0.85 | CA2 (0.60) | CA2CYP3A4CYP1A2CYP2D6MAPT | |
| SCHEMBL7341313 | 0.84 | CA2 (0.85) | CA2CYP3A4CYP1A2CYP2D6MAPT | |
| SCHEMBL7340523 | 0.84 | CA2 (0.85) | CA2CYP3A4CYP1A2CYP2D6MAPT | |
| SCHEMBL7333171 | 0.84 | CA2 (0.85) | CA2CYP3A4CYP1A2CYP2D6MAPT | |
| SCHEMBL7302427 | 0.80 | CA2 (0.60) | CA2CYP1A2CYP2D6MAPTTSHR | |
| SCHEMBL27395775 | 0.80 | CA2 (0.60) | CA2CYP1A2CYP2D6MAPTTSHR | |
| SCHEMBL7393135 | 0.80 | CA2 (0.60) | CA2CYP1A2CYP2D6MAPTTSHR |
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 |