Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | MME | P08473 | 1/20 | 0.44 |
| ▸ | PTPRA | P18433 | 1/20 | 0.43 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.42 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27373122 | 1.00 | CA2 (0.54) | CA2POLBMMEPTPRAKCNK3 | |
| SCHEMBL27395775 | 0.84 | CA2 (0.60) | CA2POLBPTPRAKCNK3SMN1; SMN2 | |
| SCHEMBL7393135 | 0.84 | CA2 (0.60) | CA2POLBPTPRAKCNK3SMN1; SMN2 | |
| SCHEMBL7302427 | 0.84 | CA2 (0.60) | CA2POLBPTPRAKCNK3SMN1; SMN2 | |
| SCHEMBL4683895 | 0.83 | CA2 (0.67) | CA2POLBMMEPTPRASMN1; SMN2 | |
| SCHEMBL4683897 | 0.83 | CA2 (0.67) | CA2POLBMMEPTPRASMN1; SMN2 | |
| SCHEMBL7308111 | 0.79 | CA2 (0.55) | CA2KCNK3SMN1; SMN2ALDH1A1CYP1A2 | |
| SCHEMBL27375082 | 0.79 | HDAC1 (0.46) | POLBMMEKDM4ELPAR1ALDH1A1 | |
| SCHEMBL7300357 | 0.79 | HDAC1 (0.46) | POLBMMEKDM4ELPAR1ALDH1A1 | |
| SCHEMBL2760067 | 0.78 | CA2 (0.64) | CA2POLBKCNK3SMN1; SMN2ALDH1A1 |
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 |