Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | CDC25A | P30304 | 6/20 | 0.52 |
| ▸ | CDC25B | P30305 | 2/20 | 0.52 |
| ▸ | INPP5D | Q92835 | 1/20 | 0.52 |
| ▸ | NPC1L1 | Q9UHC9 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | USP2 | O75604 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | SRD5A1 | P18405 | 3/20 | 0.49 |
| ▸ | SRD5A2 | P31213 | 3/20 | 0.49 |
| ▸ | POLA1 | P09884 | 1/20 | 0.48 |
| ▸ | FNTA | P49354 | 2/20 | 0.47 |
| ▸ | FNTB | P49356 | 2/20 | 0.47 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.47 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.47 |
| ▸ | EFNA1 | P20827 | 1/20 | 0.47 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28776585 | 1.00 | CYP2D6 (0.53) | CYP2D6CYP2C19CDC25ACDC25BINPP5D | |
| SCHEMBL27941246 | 1.00 | CYP2D6 (0.53) | CYP2D6CYP2C19CDC25ACDC25BINPP5D | |
| SCHEMBL14444887 | 0.85 | CDC25A (0.53) | CYP2D6CYP2C19CDC25ACDC25BINPP5D | |
| SCHEMBL11377212 | 0.84 | CDC25A (0.70) | CYP2D6CYP2C19CDC25ACDC25BINPP5D | |
| SCHEMBL9952544 | 0.84 | CDC25A (0.70) | CYP2D6CYP2C19CDC25ACDC25BINPP5D | |
| SCHEMBL28099715 | 0.84 | CDC25A (0.70) | CYP2D6CYP2C19CDC25ACDC25BINPP5D | |
| SCHEMBL18844064 | 0.84 | CDC25A (0.70) | CYP2D6CYP2C19CDC25ACDC25BINPP5D | |
| SCHEMBL8475208 | 0.84 | CYP2D6 (0.55) | CYP2D6CYP2C19CDC25ACDC25BINPP5D | |
| SCHEMBL27303690 | 0.83 | CDC25A (0.66) | CYP2D6CYP2C19CDC25ACDC25BINPP5D | |
| SCHEMBL14676689 | 0.78 | CYP2D6 (0.71) | CYP2D6CYP2C19CDC25ACDC25BINPP5D |
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 |
|---|---|---|---|---|---|---|---|
| CN-101292162-A | Methods of Identifying Therapeutic Agents | SCRIPPS RESEARCH INST (US) | 2008-10-22 | — | — | CN | disclosed |