Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 2/20 | 0.63 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.60 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.60 |
| ▸ | TRPV6 | Q9H1D0 | 2/20 | 0.56 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | HPN | P05981 | 1/20 | 0.52 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.52 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL7311276 | 0.85 | ATM (0.84) | ATMOPRD1KDM4EMEN1KMT2A | |
| SCHEMBL15800693 | 0.85 | CHRNB2 (0.77) | CHRNB2CHRNA4TRPV6ALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL16226937 | 0.83 | ATM (0.82) | ATMOPRD1KDM4EMEN1KMT2A | |
| SCHEMBL16026435 | 0.83 | CHRNB2 (0.85) | CHRNB2CHRNA4TRPV6ALDH1A1KDM4E | |
| SCHEMBL30122798 | 0.81 | CHRNB2 (0.66) | CHRNB2CHRNA4TRPV6ALDH1A1KDM4E | |
| SCHEMBL13412386 | 0.81 | CHRNB2 (0.66) | CHRNB2CHRNA4TRPV6ALDH1A1KDM4E | |
| SCHEMBL4474652 | 0.81 | KDM4E (0.74) | CHRNB2CHRNA4TRPV6OPRD1ALDH1A1 | |
| SCHEMBL20804485 | 0.80 | CHRNB2 (0.53) | CHRNB2CHRNA4TRPV6ALDH1A1KDM4E | |
| SCHEMBL31350803 | 0.80 | CYP3A4 (0.61) | ATMOPRD1ALDH1A1MEN1KMT2A | |
| Ammonia Solution, Strong SCHEMBL20740614 | 0.79 | CHRNB2 (0.64) | CHRNB2CHRNA4TRPV6ALDH1A1KDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100502868-C | 3CL protease inhibitor of non-peptide SARS coronavirus and use thereof | UNIV BEIJING (CN) | 2009-06-24 | — | — | CN | claimed |
| CN-1965833-A | 3CL protease inhibitor of non-peptide SARS coronavirus and use thereof | UNIV BEIJING (CN) | 2007-05-23 | — | — | CN | claimed |
| CN-100502868-C | 3CL protease inhibitor of non-peptide SARS coronavirus and use thereof | UNIV BEIJING (CN) | 2009-06-24 | — | — | CN | disclosed |
| CN-1965833-A | 3CL protease inhibitor of non-peptide SARS coronavirus and use thereof | UNIV BEIJING (CN) | 2007-05-23 | — | — | CN | disclosed |