Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 9/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.33 |
| ▸ | KIT | P10721 | 2/20 | 0.32 |
| ▸ | USP2 | O75604 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | RET | P07949 | 1/20 | 0.31 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | TDO2 | P48775 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL4051940 | 0.91 | PDE4D (0.48) | PDE4DCYP17A1PDE4B | |
| SCHEMBL4062007 | 0.85 | HRH4 (0.31) | — | |
| SCHEMBL4018297 | 0.84 | CYP17A1 (0.33) | CYP17A1PDE4BALDH1A1HSD17B10 | |
| SCHEMBL4053327 | 0.84 | CYP17A1 (0.37) | CYP17A1KITUSP2KDM1ACYP1A2 | |
| SCHEMBL4059118 | 0.81 | CYP17A1 (0.35) | PDE4DCYP17A1PDE4B | |
| SCHEMBL4060696 | 0.76 | HRH4 (0.37) | — | |
| SCHEMBL4013156 | 0.74 | HRH4 (0.33) | CYP17A1PDE4BALDH1A1 | |
| SCHEMBL4235894 | 0.73 | HRH4 (0.35) | — | |
| SCHEMBL14865178 | 0.73 | PDE4B (0.33) | CYP17A1PDE4BALDH1A1 | |
| SCHEMBL4059123 | 0.72 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009115874-A2 | NOVEL HETEROCYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION | MATRIX LABORATORIES LTD. (IN) | 2009-09-24 | — | — | WO | claimed |
| WO-2009115874-A2 | NOVEL HETEROCYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION | MATRIX LABORATORIES LTD. (IN) | 2009-09-24 | — | — | WO | disclosed |