Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 6/20 | 0.46 |
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.46 |
| ▸ | MTOR | P42345 | 1/20 | 0.46 |
| ▸ | ADK | P55263 | 1/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 5/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.36 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.36 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | KCNK13 | Q9HB14 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9404099 | 0.74 | ADRA2A (0.44) | ADRA2ANISCHMTORADKADRA2B | |
| SCHEMBL4719727 | 0.74 | ADRA2A (0.44) | ADRA2ANISCHMTORADKADRA2B | |
| SCHEMBL6163163 | 0.73 | CYP2A6 (0.37) | ALDH1A1MEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL295727 | 0.72 | NISCH (0.52) | ADRA2ANISCHMTORADKADRA2B | |
| SCHEMBL703704 | 0.71 | NISCH (0.47) | ADRA2ANISCHMTORADKADRA2B | |
| SCHEMBL7391931 | 0.71 | NISCH (0.56) | ADRA2ANISCHMTORADKADRA2B | |
| SCHEMBL2093036 | 0.71 | MTOR (0.44) | ADRA2ANISCHMTORADKADRA2B | |
| SCHEMBL29613953 | 0.70 | NISCH (0.60) | ADRA2ANISCHMTORADKADRA2B | |
| SCHEMBL4329170 | 0.70 | ADRA2A (0.50) | ADRA2ANISCHMTORADKADRA2B | |
| SCHEMBL534893 | 0.70 | NISCH (0.60) | ADRA2ANISCHMTORADKADRA2B |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100398555-C | Protease inhibitors for coronaviruses and SARS-COV and the use thereof | CYTOVIA INC (US) | 2008-07-02 | — | — | CN | disclosed |
| CN-1235875-C | Substituted alpha-hydroxy acid caspase inhibitors and uses thereof | CYTOVIA INC (US) | 2006-01-11 | — | — | CN | disclosed |
| CN-1176941-C | Caspase inhibitors and the use thereof | ά | 2004-11-24 | — | — | CN | disclosed |
| CN-1382119-A | Substituted alpha-hydroxy acid caspase inhibitors and uses thereof | CYTOVIA INC (US) | 2002-11-27 | — | — | CN | disclosed |
| CN-1349496-A | Caspase inhibitors and uses thereof | CYTOVIA INC (US) | 2002-05-15 | — | — | CN | disclosed |
| CN-1346344-A | Substituted 2-aminobenzamide caspase ihibitors and the use thereof | CYTOVIA INC (US) | 2002-04-24 | — | — | CN | disclosed |