Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7305636 | 0.90 | CA2 (0.48) | CA2ALDH1A1SMN1; SMN2KDM4EHIF1A | |
| SCHEMBL4683897 | 0.89 | CA2 (0.67) | CA2ALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL4683895 | 0.89 | CA2 (0.67) | CA2ALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL7339166 | 0.82 | CA2 (0.84) | CA2ALDH1A1SMN1; SMN2KDM4EMEN1 | |
| SCHEMBL7342691 | 0.82 | CA2 (0.84) | CA2ALDH1A1SMN1; SMN2KDM4EMEN1 | |
| SCHEMBL7332707 | 0.82 | CA2 (0.84) | CA2ALDH1A1SMN1; SMN2KDM4EMEN1 | |
| SCHEMBL7274173 | 0.81 | KMT2A (0.51) | CA2ALDH1A1SMN1; SMN2KDM4EHIF1A | |
| SCHEMBL7296806 | 0.80 | HSD11B1 (0.47) | CA2ALDH1A1SMN1; SMN2KDM4EHIF1A | |
| SCHEMBL7296816 | 0.80 | HSD11B1 (0.47) | CA2ALDH1A1SMN1; SMN2KDM4EHIF1A | |
| SCHEMBL7296810 | 0.80 | HSD11B1 (0.47) | CA2ALDH1A1SMN1; SMN2KDM4EHIF1A |
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 |