Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDC25B | P30305 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8286627 | 0.69 | CA12 (0.45) | CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL18818680 | 0.61 | CDC25B (0.32) | CDC25B | |
| SCHEMBL475129 | 0.60 | — | — | |
| SCHEMBL8285766 | 0.59 | KDM4E (0.31) | — | |
| SCHEMBL8285762 | 0.59 | — | — | |
| SCHEMBL8286616 | 0.58 | CA12 (0.45) | CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL19252986 | 0.57 | — | — | |
| SCHEMBL8623591 | 0.56 | — | — | |
| SCHEMBL26951480 | 0.56 | CYP17A1 (0.40) | CYP1A2CYP3A4CYP2D6DGAT1 | |
| SCHEMBL23235898 | 0.54 | CDC25B (0.65) | CDC25BCYP1A2CYP3A4 |
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-2005058348-A1 | USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC | AXYS PHARMACEUTICALS, INC. (US) | 2005-06-30 | — | — | WO | disclosed |