Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.38 |
| ▸ | USP9X | Q93008 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | PRNP | P04156 | 1/20 | 0.38 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.37 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CYSLTR1 | Q9Y271 | 2/20 | 0.36 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.36 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27375082 | 0.86 | HDAC1 (0.46) | CYP1A2HDAC1HDAC2PDK1KDM4E | |
| SCHEMBL7300357 | 0.86 | HDAC1 (0.46) | CYP1A2HDAC1HDAC2PDK1KDM4E | |
| SCHEMBL7298672 | 0.85 | CYP1A2 (0.43) | CYP1A2HDAC1HDAC2PDK1USP9X | |
| SCHEMBL7300431 | 0.83 | MME (0.44) | CYP1A2HDAC1HDAC2PDK1ALDH1A1 | |
| SCHEMBL7303578 | 0.82 | CTSD (0.47) | HDAC1HDAC2PDK1 | |
| SCHEMBL7388688 | 0.82 | CYP1A2 (0.43) | CYP1A2HDAC1HDAC2PDK1USP9X | |
| SCHEMBL7337376 | 0.81 | CYP1A2 (0.48) | CYP1A2HDAC1HDAC2PDK1KDM4E | |
| SCHEMBL7337373 | 0.81 | CYP1A2 (0.48) | CYP1A2HDAC1HDAC2PDK1KDM4E | |
| SCHEMBL6946634 | 0.78 | SIRT2 (0.45) | CYP1A2HDAC1HDAC2CYSLTR1GPBAR1 | |
| SCHEMBL7305142 | 0.77 | CYP1A2 (0.44) | CYP1A2HDAC1HDAC2PDK1KDM4E |
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 1 patent. 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 |