Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
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 | 0.85 | CA2 (0.61) | CA2CYP3A4SMN1; SMN2CYP1A2CYP2D6 | |
| SCHEMBL7342691 | 0.84 | CA2 (0.84) | CA2CYP3A4ALDH1A1SMN1; SMN2CYP1A2 | |
| SCHEMBL7339166 | 0.84 | CA2 (0.84) | CA2CYP3A4ALDH1A1SMN1; SMN2CYP1A2 | |
| SCHEMBL7332707 | 0.84 | CA2 (0.84) | CA2CYP3A4ALDH1A1SMN1; SMN2CYP1A2 | |
| SCHEMBL7299990 | 0.80 | CA2 (0.48) | CA2CYP3A4NPC1RAB9AALDH1A1 | |
| SCHEMBL7305790 | 0.80 | CA2 (0.55) | CA2CYP3A4NPC1POLBRAB9A | |
| SCHEMBL7308111 | 0.80 | CA2 (0.55) | CA2CYP3A4ALDH1A1SMN1; SMN2CYP1A2 | |
| SCHEMBL7274173 | 0.76 | KMT2A (0.51) | CA2CYP3A4NPC1POLBRAB9A | |
| SCHEMBL7334646 | 0.76 | CA2 (0.78) | CA2CYP3A4SMN1; SMN2CYP1A2CYP2D6 | |
| SCHEMBL7307958 | 0.75 | CA2 (0.50) | CA2CYP3A4TSHR |
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 |