Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | NAAA | Q02083 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | GLS | O94925 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL7303556 | 1.00 | KIF11 (0.43) | KIF11NPSR1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7892965 | 0.76 | NPSR1 (0.39) | KIF11NPSR1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL27427030 | 0.75 | POLB (0.42) | KIF11NPSR1NAAAPOLBALDH1A1 | |
| SCHEMBL6716430 | 0.75 | KYNU (0.40) | KIF11NPSR1SMN1; SMN2KMT2ATDP1 | |
| SCHEMBL14689712 | 0.73 | ARG1 (0.62) | CYP1A2ALDH1A1SMN1; SMN2KMT2A | |
| SCHEMBL27350784 | 0.73 | KIF11 (0.42) | KIF11NPSR1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL27450995 | 0.72 | RIPK1 (0.41) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL21632771 | 0.71 | CYP1A2 (0.44) | NPSR1CYP1A2CYP2C19CYP2D6SMN1; SMN2 | |
| SCHEMBL372366 | 0.71 | KIF11 (0.49) | KIF11CYP1A2TSHRCYP2C19CYP2D6 | |
| SCHEMBL29189077 | 0.71 | LMNA (0.43) | CYP3A4TSHRNAAAPOLBALDH1A1 |
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 |