Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 4/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | P2RY12 | Q9H244 | 4/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.31 |
| ▸ | CTSS | P25774 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13711118 | 1.00 | CTSK (0.33) | CTSKCYP2D6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL13711116 | 0.90 | CTSK (0.38) | CTSKCYP2D6KMT2AHDAC3HDAC1 | |
| SCHEMBL17178074 | 0.88 | CYP2D6 (0.34) | CTSKCYP2D6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL19541637 | 0.85 | P2RY12 (0.33) | CTSKCYP2D6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL13876903 | 0.84 | MEN1 (0.40) | CTSKCYP2D6KMT2AHDAC3HDAC1 | |
| SCHEMBL18575864 | 0.84 | MEN1 (0.40) | CTSKCYP2D6KMT2AHDAC3HDAC1 | |
| SCHEMBL9086263 | 0.84 | L3MBTL1 (0.37) | CTSKCYP2D6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL13707885 | 0.83 | CTSK (0.40) | CTSKCYP2D6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL14539748 | 0.83 | CTSK (0.47) | CTSKCYP2D6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL23901491 | 0.83 | CTSK (0.40) | CTSKCYP2D6CYP1A2CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021202600-A1 | SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ | THE SCRIPPS RESEARCH INSTITUTE (US) | 2021-10-07 | — | — | WO | disclosed |